SCHEMBL1003683

SCHEMBL1003683

O=c1nc(-c2ccc(C(F)(F)F)cc2)cc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 7/20 0.43
RAD51 Q06609 1/20 0.43
NOTUM Q6P988 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TNKS O95271 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
MAOB P27338 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GSTO1 P78417 1/20 0.39
COMT P21964 1/20 0.39

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
SCHEMBL1004952 0.79 TRPV3 (0.46) TRPV3
SCHEMBL144673 0.76 CYP1A2 (0.53) NOTUMADORA3KDM4EALDH1A1CYP1A2
SCHEMBL6196178 0.74 KMO (0.46) TRPV3NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL3561223 0.73 KDM4E (0.74) RAD51ADORA3KDM4EALDH1A1CYP1A2
SCHEMBL7222934 0.72 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10509994 0.72 MAPK1 (0.55) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3561319 0.72 RAD51 (0.52) RAD51ADORA3KDM4EALDH1A1CYP1A2
SCHEMBL18439066 0.71 MAP2K1 (0.68) RAD51NOTUMKDM4EALDH1A1HPGD
SCHEMBL1763375 0.71 KIF11 (0.47) NOTUMADORA3KIF11KDM4EMAOB
SCHEMBL2118961 0.70 FABP4 (0.37) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
EP-2448585-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-05-09 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (1 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E TRPV3 3124/4885RAD51 4233/4885NOTUM 2654/4885

“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.