SCHEMBL2291602

SCHEMBL2291602

NCCCCc1ccc(CC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAOA P21397 1/20 0.57
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
HRH1 P35367 2/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTR2A P28223 1/20 0.45
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
FFAR1 O14842 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11137338 0.98 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10MAOACA2
SCHEMBL4838281 0.94 HSD17B10 (0.66) ALDH1A1HPGDHSD17B10MAOACA2
Hydrochloric Acid SCHEMBL11104531 0.92 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10MAOACA2
SCHEMBL11423252 0.89 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11426403 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11432001 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11431995 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11424079 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL4842994 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL7820960 0.85 HSD17B10 (0.76) ALDH1A1HPGDHSD17B10CA2CAMK2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241528-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2019-08-08 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8227474-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-24 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-23 US disclosed
US-6903105-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-06-07 US disclosed
US-6858615-B2 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives PARION SCIENCES, INC. (US) 2005-02-22 US disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
US-20040229884-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; long half-life on mucosal surfaces; pyrazinoylguanidine derivatives PARION SCIENCES, INC. 2004-11-18 US disclosed
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders PARION SCIENCES, INC. (US) 2004-10-14 US disclosed
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives CYFI, INC. (US) 2003-10-23 US disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885HPGD 1764/4885HSD17B10 1423/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G ALDH1A1 941/4885HPGD 411/4885HSD17B10 1658/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885HPGD 1764/4885HSD17B10 1423/4885
US-20040229884-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; long half-life on mucosal surfaces; pyrazinoylguanidine derivatives SCNN1B, KCNN2, SCNN1G ALDH1A1 2467/4885HPGD 442/4885HSD17B10 2457/4885
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers SCN2A, CACNA1B, HCN4 ALDH1A1 1627/4885HPGD 805/4885HSD17B10 2659/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885HPGD 1764/4885HSD17B10 1423/4885
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders CFTR, TRPC4, TRPC5 ALDH1A1 1943/4885HPGD 221/4885HSD17B10 3337/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 ALDH1A1 1642/4885HPGD 396/4885HSD17B10 2570/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885HPGD 1764/4885HSD17B10 1423/4885
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives SCNN1B, KCNN2, KCNN1 ALDH1A1 1618/4885HPGD 762/4885HSD17B10 2169/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 ALDH1A1 651/4885HPGD 538/4885HSD17B10 2469/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ALDH1A1 1210/4885HPGD 1764/4885HSD17B10 1423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.