SCHEMBL133117

SCHEMBL133117

O=c1cc(-c2ccc(C(F)(F)F)cn2)cc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.48
KIF11 P52732 1/20 0.46
NOTUM Q6P988 1/20 0.42
MCHR1 Q99705 7/20 0.42
MAP4K4 O95819 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
METAP2 P50579 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3476605 0.83 HDAC6 (0.49) HDAC6NOTUMMAP4K4SCN10AHSD17B10
SCHEMBL133043 0.78 NOTUM (0.58) HDAC6KIF11NOTUMMAP4K4SCN10A
SCHEMBL31058281 0.77 PARP1 (0.45) KIF11MCHR1METAP2HSD17B10P2RX7
SCHEMBL94256 0.76 HDAC6 (0.50) HDAC6NOTUMMAP4K4METAP2MAPT
SCHEMBL94269 0.76 MAP4K4 (0.55) HDAC6NOTUMMCHR1MAP4K4MAPT
SCHEMBL18034806 0.76 MAP4K4 (0.51) HDAC6NOTUMMAP4K4MAPT
SCHEMBL27344645 0.75 KIF11 (0.63) KIF11MCHR1NPSR1P2RX7
SCHEMBL25904486 0.75 KIF11 (0.43) KIF11MCHR1
SCHEMBL19072777 0.74 KDM1A (0.58) KIF11NPSR1METAP2P2RX7
SCHEMBL152544 0.74 HDAC6 (0.50) HDAC6NOTUMMCHR1MAP4K4SCN10A

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 73 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-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-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 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
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 WO disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 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-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HDAC6 3011/4885KIF11 2009/4885NOTUM 4408/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 HDAC6 2849/4885KIF11 2216/4885NOTUM 4391/4885
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 HDAC6 2424/4885KIF11 3496/4885NOTUM 1748/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HDAC6 3011/4885KIF11 2009/4885NOTUM 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.