SCHEMBL3477871

SCHEMBL3477871

O=C(O)N1CCc2[nH]c3ccc(Br)cc3c2C1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 13/20 0.79
MAPT P10636 3/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 2/20 0.54
PABPC1 P11940 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CFTR P13569 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL3476781 0.90 BAZ2B (0.64) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL3477408 0.90 BAZ2B (0.64) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL29171353 0.84 BAZ2B (0.79) BAZ2BMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL28475633 0.84 BAZ2B (0.79) BAZ2BMAPTMAPK1LMNAPABPC1
SCHEMBL3424575 0.84 BAZ2B (0.81) BAZ2BMAPTUSP2ALDH1A1LMNA
SCHEMBL764099 0.83 LMNA (0.79) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL409534 0.82 BAZ2B (0.71) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL1004951 0.82 BAZ2B (0.55) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL27246699 0.82 BAZ2B (0.61) BAZ2BMAPTUSP2ALDH1A1MAPK1
SCHEMBL29171356 0.81 BAZ2B (0.82) BAZ2BUSP2LMNAPABPC1ATM

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 12 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-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-2925129-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2015-10-07 EP 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-2014031125-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO 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-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 (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 BAZ2B 370/4885MAPT 4505/4885USP2 4706/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MAPT 4451/4885USP2 4741/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885MAPT 4505/4885USP2 4706/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MAPT 4451/4885USP2 4741/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885MAPT 4451/4885USP2 4741/4885

“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.