SCHEMBL6360360

SCHEMBL6360360

CCC(=O)NCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 6/20 0.64
POLB P06746 4/20 0.64
MAPT P10636 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
PTPN7 P35236 1/20 0.64
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
EPHX2 P34913 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL29410065 0.87 ALDH1A1 (0.74) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL2926521 0.86 ALDH1A1 (0.69) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL9912447 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL6289033 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL2749570 0.82 HPGD (0.64) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL14511323 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL2638802 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL20189300 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL2638805 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBMAPTL3MBTL1
SCHEMBL19726938 0.82 HPGD (0.73) ALDH1A1HPGDPOLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678342-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES Takeda Pharmaceutical Company Limited (JP) 2014-01-01 EP claimed
WO-2012148548-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-01 WO claimed
CN-110563709-B Pyrimidine compounds and application thereof as TRPV2 inhibitor 中国科学院上海药物研究所 2023-01-24 CN disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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 (7 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885HPGD 2359/4885POLB 4046/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885HPGD 1243/4885POLB 2951/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885HPGD 2482/4885POLB 3963/4885
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 ALDH1A1 95/4885HPGD 1197/4885POLB 439/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885HPGD 2482/4885POLB 3963/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885HPGD 2482/4885POLB 3963/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885HPGD 2482/4885POLB 3963/4885

“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.