SCHEMBL133428

SCHEMBL133428

[O-][n+]1ccc(OCc2ccc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GPR84 Q9NQS5 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MCHR1 Q99705 6/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34
GRM5 P41594 1/20 0.34
APP P05067 1/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL132779 0.81 GRM5 (0.39) GRM5APPMAOB
SCHEMBL94427 0.78 SMN1; SMN2 (0.50) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL1711781 0.77 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL11244622 0.77 RAB9A (0.50) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL2877136 0.76 MAOB (0.58) NPC1RAB9AGPR84APPMAOB
SCHEMBL11237475 0.74 LMNA (0.60) RAB9ACYP19A1MAOB
SCHEMBL2961962 0.73 KDM4E (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL16838753 0.73 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL4322888 0.72 NR4A2 (0.63) NPC1RAB9AMRGPRX4TSHR
SCHEMBL11926655 0.71 GRM2 (0.37) CYP1A2CYP2C9CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 EP 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
WO-2010141545-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 EP disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 US disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 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 (5 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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO CYP1A2 17/4885CYP2C9 73/4885CYP2C19 9/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 CYP1A2 290/4885CYP2C9 168/4885CYP2C19 151/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 CYP1A2 294/4885CYP2C9 153/4885CYP2C19 140/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 CYP1A2 290/4885CYP2C9 168/4885CYP2C19 151/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 CYP1A2 290/4885CYP2C9 168/4885CYP2C19 151/4885

“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.