SCHEMBL3477495

SCHEMBL3477495

Cn1c2c(c3cc(F)c(Br)cc31)CN(C(=O)O)CC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 4/20 0.48
CFTR P13569 1/20 0.39
HDAC10 Q969S8 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
MCHR1 Q99705 1/20 0.38
HTR5A P47898 2/20 0.37
HDAC1 Q13547 1/20 0.37
HTR6 P50406 2/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL3476111 0.90 HDAC6 (0.38) BAZ2BCFTRHDAC6PTGDR2MCHR1
SCHEMBL15889613 0.84 HDAC1 (0.44) BAZ2BCFTRHDAC10HDAC6HDAC1
SCHEMBL3477090 0.80 BAZ2B (0.53) BAZ2BHDAC10HDAC6HDAC8PTGDR2
SCHEMBL12981377 0.75 KRAS (0.44) HDAC6HDAC1
SCHEMBL13025213 0.74 ALOX5 (0.50) PTGDR2MCHR1
SCHEMBL28473909 0.74 CYP1A2 (0.62) BAZ2BHDAC10HDAC6HDAC8PTGDR2
SCHEMBL1005049 0.73 BAZ2B (0.46) BAZ2BHDAC10HDAC6HDAC8MCHR1
SCHEMBL3476549 0.72 BAZ2B (0.52) BAZ2BCFTR
SCHEMBL1004240 0.71 GRM5 (0.46) BAZ2BHDAC10HDAC6HDAC8MCHR1
SCHEMBL3476808 0.70 BAZ2B (0.53) BAZ2BHDAC6HTR5AHDAC1HTR6

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-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 BAZ2B 370/4885CFTR 451/4885HDAC10 639/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885CFTR 400/4885HDAC10 680/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 BAZ2B 370/4885CFTR 451/4885HDAC10 639/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885CFTR 400/4885HDAC10 680/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 BAZ2B 401/4885CFTR 400/4885HDAC10 680/4885

“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.