SCHEMBL3476988

SCHEMBL3476988

[O-][n+]1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
IDO1 P14902 2/20 0.49
PTPN1 P18031 2/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
CDC25A P30304 1/20 0.46
PTPN11 Q06124 1/20 0.46
AR P10275 1/20 0.46
HMOX1 P09601 1/20 0.46
PTPRZ1 P23471 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL17810160 0.82 MMP1 (0.49) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL10104014 0.81 MAOB (0.58) MAOBMAOA
SCHEMBL18164548 0.79 MAOB (0.70) MAOBIDO1PTPN1PTPRCPTPN2
SCHEMBL9747473 0.79 MAOB (0.49) MAOBARMAOA
SCHEMBL2873573 0.79 MAOB (0.69) MAOBIDO1PTPN1PTPRCPTPN2
Ammonia Solution, Strong SCHEMBL6903652 0.77 MAOB (0.67) MAOBIDO1PTPN1PTPRCPTPN2
SCHEMBL2877136 0.77 MAOB (0.58) MAOBIDO1MAOA
SCHEMBL4883457 0.77 MAOB (0.72) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL11426612 0.77 MAOB (0.67) MAOBIDO1PTPN1PTPRCPTPN2
SCHEMBL557817 0.77 LMNA (0.57) MAOBMAOA

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 13 patents. 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-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 US disclosed
US-9365540-B2 Benzimidazole derivatives as MCH receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 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
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
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
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 (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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 MAOB 1038/4885IDO1 3586/4885PTPN1 1601/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAOB 1090/4885IDO1 3764/4885PTPN1 1858/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 MAOB 1038/4885IDO1 3586/4885PTPN1 1601/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAOB 1090/4885IDO1 3764/4885PTPN1 1858/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 MAOB 1090/4885IDO1 3764/4885PTPN1 1858/4885

“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.