SCHEMBL806121

SCHEMBL806121

Cc1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.40
GRIN2B Q13224 1/20 0.39
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
IDH1 O75874 1/20 0.38
DAO P14920 1/20 0.36
NOTUM Q6P988 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NFE2L2 Q16236 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NOS2 P35228 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
TACR1 P25103 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL14570493 0.86 IDO1 (0.43) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL16767879 0.84 GRIN2B (0.44) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL12807082 0.84 RXRA (0.39) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL5776968 0.84 IDO1 (0.54) IDO1DAOTACR1TAAR1
SCHEMBL15704675 0.83 RXRA (0.39) IDO1RAPGEF4NOS1NOS3NOTUM
SCHEMBL799008 0.83 IDO1 (0.41) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL799344 0.81 RXRA (0.45) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL823297 0.81 IDO1 (0.44) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL799078 0.81 IDO1 (0.39) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL12765145 0.79 NOS1 (0.43) IDO1RAPGEF4GRIN2BNOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof KARYOPHARM THERAPEUTICS INC (US) 2017-05-18 US disclosed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 US disclosed
US-20160320397-A1 USE OF BUBR1 AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2016-11-03 US disclosed
US-9428490-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-08-30 US disclosed
US-9272987-B2 Diazeniumdiolate cyclohexyl derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-01 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-29 US disclosed
US-9108920-B2 Diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-7615300-B2 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology The Board of Regents University and Community College System of Nevada on Behalf of the University of Nevada (US) 2009-11-10 US disclosed
US-7592366-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-09-22 US disclosed
US-20090186874-A1 Carboxamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-7468440-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-23 US disclosed
US-20080300269-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2008-12-04 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20070048579-A1 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology Board of Regents University and Community College System of Nevada 2007-03-01 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 (9 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-20080300269-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO IDO1 3102/4885RAPGEF4 3696/4885GRIN2B 3382/4885
US-20170137430-A1 Nuclear Transport Modulators And Uses Thereof XPO1, XPO5, XPOT IDO1 4080/4885RAPGEF4 1337/4885GRIN2B 2896/4885
US-20090186874-A1 Carboxamide derivative and use thereof NTSR2, NTSR1, CNR2 IDO1 623/4885RAPGEF4 3806/4885GRIN2B 243/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 IDO1 550/4885RAPGEF4 3524/4885GRIN2B 277/4885
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC2, HDAC1, HDAC3 IDO1 13/4885RAPGEF4 2870/4885GRIN2B 719/4885
US-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 2335/4885RAPGEF4 2644/4885GRIN2B 95/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 IDO1 4129/4885RAPGEF4 3560/4885GRIN2B 1471/4885
US-20160320397-A1 USE OF BUBR1 AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BUB1B, BUB1, BUB3 IDO1 2495/4885RAPGEF4 2565/4885GRIN2B 4394/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT IDO1 288/4885RAPGEF4 3887/4885GRIN2B 143/4885

“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.