SCHEMBL133043

SCHEMBL133043

O=c1cc(-c2ccc(C(F)(F)F)cc2)cc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
TDP2 O95551 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KIF11 P52732 9/20 0.47
HSD17B10 Q99714 1/20 0.45
ALDH2 P05091 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
DHODH Q02127 1/20 0.40
MAP4K4 O95819 1/20 0.40
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3282137 0.81 NOTUM (0.58) NOTUMHDAC6KIF11ALDH2DHODH
SCHEMBL6042142 0.79 NOTUM (0.77) NOTUMHDAC6ALDH2MAP4K4
SCHEMBL4231200 0.79 NOTUM (0.64) NOTUMHDAC6ALDH2MAP4K4
SCHEMBL133117 0.78 HDAC6 (0.48) NOTUMHDAC6KIF11HSD17B10SCN10A
SCHEMBL1931574 0.78 HSD17B10 (0.52) NOTUMHDAC6HSD17B10SCN8ASCN10A
SCHEMBL3476605 0.76 HDAC6 (0.49) NOTUMHDAC6HSD17B10SCN8ASCN10A
SCHEMBL133378 0.75 MAP4K4 (0.48) NOTUMHDAC6SCN8ASCN10AMAP4K4
SCHEMBL94548 0.75 NOTUM (0.64) NOTUMHDAC6ALDH2MAP4K4
SCHEMBL3476831 0.75 NOTUM (0.64) NOTUMTDP2ALDH2MAP4K4KCNH2
SCHEMBL3901501 0.75 NOTUM (0.64) NOTUMTDP2HDAC6HSD17B10ALDH2

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 78 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
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
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 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 (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 NOTUM 4408/4885TDP2 4468/4885HDAC6 3011/4885
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 NOTUM 1748/4885TDP2 2577/4885HDAC6 2424/4885
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 NOTUM 4484/4885TDP2 1578/4885HDAC6 719/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 NOTUM 4408/4885TDP2 4468/4885HDAC6 3011/4885

“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.