SCHEMBL3475271

SCHEMBL3475271

O=c1cc(-c2ccc(Cl)cc2Cl)cc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
MAP4K4 O95819 1/20 0.50
NOTUM Q6P988 1/20 0.48
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PPOX P50336 1/20 0.41
S100A4 P26447 1/20 0.41
ALDH2 P05091 2/20 0.40
AOC3 Q16853 2/20 0.40
KCNH2 Q12809 1/20 0.40
MARS1 P56192 1/20 0.40
MAPT P10636 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15781388 0.82 NOTUM (0.46) MAP4K4NOTUMALDH2MAPTPDE3B
SCHEMBL3476831 0.79 NOTUM (0.64) MAP4K4NOTUMALDH1A1ALDH2AOC3
SCHEMBL15769238 0.78 SCN8A (0.43) MAP4K4NOTUMALDH1A1ALDH2MAPT
SCHEMBL3477513 0.78 MAP4K4 (0.45) MAP4K4NOTUMPDE3BPDE3A
SCHEMBL28203407 0.77 MAP4K4 (0.44) MAP4K4NOTUMALDH1A1PPOXS100A4
SCHEMBL10899871 0.76 MAP4K4 (0.49) AHRMAP4K4NOTUMSRD5A2ALDH1A1
SCHEMBL17226080 0.76 CHEK1 (0.55) AHRSRD5A2ALDH1A1
SCHEMBL608199 0.75
SCHEMBL29564228 0.75 NOTUM (0.50) AHRMAP4K4NOTUMALDH2PDE3B
SCHEMBL21380919 0.75 NOTUM (0.50) AHRMAP4K4NOTUMALDH2PDE3B

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 30 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-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-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-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-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 EP 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 EP 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
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

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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 AHR 159/4885MAP4K4 4017/4885NOTUM 4391/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 AHR 185/4885MAP4K4 4123/4885NOTUM 4408/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 AHR 159/4885MAP4K4 4017/4885NOTUM 4391/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 AHR 185/4885MAP4K4 4123/4885NOTUM 4408/4885

“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.