SCHEMBL695186

SCHEMBL695186

FC(F)(F)c1ccn(-c2cc[c]cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 1/20 0.50
PAX8 Q06710 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.44
PRMT6 Q96LA8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
IDH1 O75874 5/20 0.38
IDH2 P48735 1/20 0.38
MGLL Q99685 1/20 0.34
SCN9A Q15858 1/20 0.33
USP1 O94782 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL1094013 0.81 NPC1 (0.63) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL26654154 0.80 NPC1 (0.42) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL30999699 0.79 NPC1 (0.54) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL21023945 0.79 NPC1 (0.54) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL24484298 0.78 NPC1 (0.52) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL1354818 0.78 NPC1 (0.52) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL31364581 0.78 MAPT (0.54) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL12804825 0.78 NPC1 (0.56) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL8259527 0.78 NPC1 (0.58) NPC1RAB9ANPSR1HTTPAX8
SCHEMBL15299351 0.78 NPC1 (0.52) NPC1RAB9ANPSR1HTTPAX8

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
CN-103429079-A Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION INC 2013-12-04 CN claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
CN-101528748-A Imidazopyridazines as PI3K lipid kinase inhibitors NOVARTIS AG (CH) 2009-09-09 CN claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP NPC1 348/4885RAB9A 3523/4885NPSR1 2187/4885
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NPC1 1393/4885RAB9A 4026/4885NPSR1 4282/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB NPC1 1451/4885RAB9A 2162/4885NPSR1 4234/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885NPSR1 1364/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885NPSR1 1364/4885

“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.