SCHEMBL530440

SCHEMBL530440

CCCc1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
PNMT P11086 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CA P42336 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL14671446 0.88 GLA (0.47) DAOPNMTTAAR1SMN1; SMN2GLA
SCHEMBL14402440 0.86 HTR2A (0.48) SMN1; SMN2GLASIGMAR1TP53HSD17B10
SCHEMBL18647948 0.85 HTR2A (0.52) SMN1; SMN2GLASIGMAR1TP53HSD17B10
SCHEMBL530150 0.83 PNMT (0.45) PNMTTAAR1CNR1CNR2SMN1; SMN2
SCHEMBL257081 0.83 TSHR (0.44) DAOPNMTTAAR1CNR2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6341561 0.82 PNMT (0.44) PNMTTAAR1CNR1CNR2SMN1; SMN2
SCHEMBL23850015 0.81 TAAR1 (0.47) DAOPNMTTAAR1CNR2SIGMAR1
Ammonia Solution, Strong SCHEMBL15468078 0.81 TSHR (0.43) DAOPNMTTAAR1CNR2SMN1; SMN2
SCHEMBL793707 0.81 TAAR1 (0.69) DAOPNMTTAAR1SMN1; SMN2GLA
SCHEMBL530305 0.80 CNR1 (0.48) DAOCNR1CNR2SMN1; SMN2NPC1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014106019-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL (US) 2014-07-03 WO disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 WO disclosed
US-20130123545-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120095004-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-04-19 US disclosed
WO-2012014908-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE CANON KABUSHIKI KAISHA (JP) 2012-02-02 WO disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20130123545-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE DHPS, CBR1, DDT DAO 228/4885PNMT 1650/4885TAAR1 3044/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 DAO 3290/4885PNMT 2784/4885TAAR1 4180/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 DAO 2100/4885PNMT 3802/4885TAAR1 4199/4885
US-20120095004-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 DAO 2361/4885PNMT 2888/4885TAAR1 2190/4885
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA DAO 2394/4885PNMT 2091/4885TAAR1 4116/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 DAO 3427/4885PNMT 2604/4885TAAR1 2452/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 DAO 2361/4885PNMT 2888/4885TAAR1 2190/4885
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 DAO 2790/4885PNMT 3395/4885TAAR1 4503/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 DAO 2274/4885PNMT 2111/4885TAAR1 4006/4885

“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.