SCHEMBL1496409

SCHEMBL1496409

CCOC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 5/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
CACNA1C Q13936 2/20 0.47
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
AR P10275 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL25837923 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL2062103 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL7723906 0.86 SMN1; SMN2 (0.68) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL550516 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL2616927 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL3299225 0.84 CA12 (0.62) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL14114749 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL7665374 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL194989 0.83 ALDH1A1 (0.59) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A
SCHEMBL30062014 0.83 ALDH1A1 (0.59) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942537-B ALDH2 agonist, preparation method and application thereof 中国人民解放军第二军医大学 2023-11-17 CN disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
US-9180215-B2 Positron emission tomography imaging method PURDUE RESEARCH FOUNDATION (US) 2015-11-10 US disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 WO disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 CN disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US 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 (4 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R SMN1; SMN2 3613/4885MAPT 4564/4885NPC1 3936/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC SMN1; SMN2 3590/4885MAPT 4733/4885NPC1 7/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4422/4885MAPT 3728/4885NPC1 3779/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 SMN1; SMN2 2771/4885MAPT 4341/4885NPC1 1101/4885

“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.