SCHEMBL94427

SCHEMBL94427

Clc1ccc(COc2ccncc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
SLC6A3 Q01959 1/20 0.37
MCHR1 Q99705 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL1711781 0.81 CYP1A2 (0.40) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL11244622 0.81 RAB9A (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL9968731 0.79 GRM5 (0.46) SMN1; SMN2SLC6A3PDE10AGRM5
SCHEMBL94217 0.79 SYK (0.45) SMN1; SMN2NPC1RAB9ASLC6A3HPGD
SCHEMBL12950195 0.79 SMN1; SMN2 (0.42) SMN1; SMN2SLC6A3GRM5
SCHEMBL133428 0.78 CYP1A2 (0.38) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL16838753 0.77 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL4322888 0.76 NR4A2 (0.63) SMN1; SMN2NPC1RAB9ATSHRMRGPRX4
SCHEMBL11426766 0.76 MAOB (0.61) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL11926655 0.75 GRM2 (0.37) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 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
WO-2013166621-A1 1-(DIHYDRONAPHTHALENYL)PYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-11-14 WO disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 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
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-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 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 (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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 SMN1; SMN2 2372/4885NPC1 773/4885RAB9A 1463/4885
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 SMN1; SMN2 3619/4885NPC1 380/4885RAB9A 3076/4885
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO SMN1; SMN2 196/4885NPC1 1324/4885RAB9A 3037/4885
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 SMN1; SMN2 3619/4885NPC1 380/4885RAB9A 3076/4885
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E SMN1; SMN2 3251/4885NPC1 710/4885RAB9A 2761/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 SMN1; SMN2 2372/4885NPC1 773/4885RAB9A 1463/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 SMN1; SMN2 2052/4885NPC1 577/4885RAB9A 1275/4885

“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.