SCHEMBL918

SCHEMBL918

Cn1c2c(c3ccccc31)C(=O)NCC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
BCHE P06276 3/20 0.54
ACHE P22303 2/20 0.54
ALB P02768 1/20 0.54
BRD2 P25440 1/20 0.54
BRD3 Q15059 1/20 0.54
CREBBP Q92793 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PARP1 P09874 1/20 0.48

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
SCHEMBL854 0.92 BCHE (0.64) BCHEACHEALB
SCHEMBL13345818 0.89 BRD4 (0.51) BRD4BCHEACHEALBBRD2
SCHEMBL10328 0.80 BRD4 (0.51) BRD4BCHEACHEALBBRD2
SCHEMBL1391 0.80 BRD4 (0.64) BRD4BCHEACHEALBBRD2
SCHEMBL7292545 0.80 PARP1 (0.45) BRD4BCHEACHEBRD2BRD3
SCHEMBL3558226 0.80 PTPN1 (0.54) BRD4BCHEACHEALBBRD2
SCHEMBL7284779 0.79 MCHR1 (0.49) BRD4BCHEACHEALBBRD2
SCHEMBL984 0.78 HTR2A (0.54) CREBBPHTR2AHTR2CKDM4EALOX15
SCHEMBL7286561 0.77 PARP1 (0.45) BRD4BCHEACHEALBBRD2
SCHEMBL7282759 0.76 PARP10 (0.44) BRD4BCHEACHEALBBRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178937-A1 PROCESS FOR THE PREPARATION OF ALOSETRON ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-07-12 US claimed
US-6175014-B1 SUCH AS 2,3,4,5-TETRAHYDRO-5-METHYL-2-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-1H -PYRIDO(4,3-B)INDOL-1-ONE BY REACTION OF CORRESPONDING 2-UNSUBSTITUTED PYRIDO(4,3-B)INDOL-1-ONE AND 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE IN PRESENCE OF STRONG ACID GLAXO GROUP LIMITED (GB) 2001-01-16 US claimed
EP-0385721-B1 Process for the preparation of lactam derivatives GLAXO GROUP LTD (GB) 1995-01-25 EP claimed
EP-0385721-A2 Process for the preparation of lactam derivatives GLAXO GROUP LIMITED (GB) 1990-09-05 EP claimed
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20120178937-A1 PROCESS FOR THE PREPARATION OF ALOSETRON ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-07-12 US disclosed
US-20120178937-A1 PROCESS FOR THE PREPARATION OF ALOSETRON ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-07-12 US disclosed
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-5196534-A PROCESS FOR THE PREPARATION OF LACTAM DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-23 US disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0458624-A1 Process for the preparation of lactam derivatives GLAXO GROUP LIMITED (GB) 1991-11-27 EP disclosed
EP-0411901-A2 Treatment of conditions involving excessive eating GLAXO GROUP LIMITED (GB) 1991-02-06 EP disclosed
US-4985422-A TRICYCLIC, IMIDAZOLE SUBSTITUTED, ANTAGONIST OF HYDROXYTRYPTAMINE RECEPTORS, PSYCHOTIC DISORDERS, SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
EP-0385721-A2 Process for the preparation of lactam derivatives GLAXO GROUP LIMITED (GB) 1990-09-05 EP disclosed
EP-0339959-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP 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-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NFRKB, NFKBIA, RELA BRD4 16/4885BCHE 3949/4885ACHE 4601/4885
US-20100113478-A1 INDOLONE MODULATORS OF 5-HT3 RECEPTOR HTR3A, HTR3B, HTR3E BRD4 964/4885BCHE 2269/4885ACHE 512/4885
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof HTR5A, HTR1A, HTR3A BRD4 4363/4885BCHE 441/4885ACHE 302/4885
US-20120178937-A1 PROCESS FOR THE PREPARATION OF ALOSETRON CYP4A11, UGT1A4, CYP4F11 BRD4 4857/4885BCHE 1734/4885ACHE 1229/4885

“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.