SCHEMBL3476607

SCHEMBL3476607

Fc1ccc2c3c([nH]c2c1Br)CCNC3

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
PARP1 P09874 2/20 0.49
NISCH Q9Y2I1 1/20 0.46
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
PNMT P11086 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL29466256 0.82 TAAR1 (0.51) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL23392604 0.82 TAAR1 (0.51) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL21162339 0.82 TAAR1 (0.58) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL29292234 0.78 TAAR1 (0.48) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL2247036 0.78 TAAR1 (0.66) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL31447784 0.78 GFER (0.43) PARP1NISCHKMT2A
SCHEMBL14581534 0.76 NISCH (0.46) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL14581533 0.76 TAAR1 (0.62) TAAR1PARP1NISCHRAD52KMT2A
SCHEMBL1991623 0.75 NISCH (0.77) TAAR1PARP1NISCHRAD52KMT2A
Hydrochloric Acid SCHEMBL4791762 0.75 TAAR1 (0.65) TAAR1PARP1NISCHRAD52KMT2A

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 10 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-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
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 TAAR1 97/4885PARP1 4086/4885NISCH 3082/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 TAAR1 117/4885PARP1 4070/4885NISCH 3171/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 TAAR1 97/4885PARP1 4086/4885NISCH 3082/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 TAAR1 117/4885PARP1 4070/4885NISCH 3171/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 TAAR1 117/4885PARP1 4070/4885NISCH 3171/4885

“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.