SCHEMBL3301733

SCHEMBL3301733

Clc1cccc(Cc2ccccc2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.48
NR1H2 P55055 1/20 0.46
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
P2RX7 Q99572 2/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CTRC Q99895 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11828147 0.91 PNMT (0.60) PNMTTAAR1IDO1MEN1CYP3A4
SCHEMBL11403614 0.89 CALM1 (0.52) NR1H2CALM1HTR2AMEN1CYP3A4
SCHEMBL4423210 0.84 SIGMAR1 (0.53) PNMTTAAR1IDO1CALM1HTR2A
SCHEMBL3302008 0.84 PNMT (0.68) PNMTTAAR1IDO1MEN1CYP3A4
SCHEMBL2861971 0.83 CTRC (0.47) NR1H2CALM1HTR2AP2RX7MEN1
SCHEMBL6337201 0.82 PNMT (0.60) PNMTTAAR1IDO1CYP3A4KDM4E
SCHEMBL27610685 0.82 PNMT (0.50) PNMTTAAR1IDO1P2RX7MEN1
SCHEMBL1042000 0.82 PNMT (0.55) PNMTTAAR1IDO1CYP3A4KDM4E
SCHEMBL11030386 0.81 NR1H2 (0.45) NR1H2CALM1HTR2AMEN1CYP3A4
SCHEMBL26135124 0.81 TAAR1 (0.59) PNMTTAAR1IDO1NR1H2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104716352-A Use of crosslinking type polybenzimidazole porous separating membrane in liquid flow battery DALIAN CHEMICAL PHYSICS INST 2015-06-17 CN claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
CN-103055723-A Cross-linking type polybenzimidazole porous separation membrane and preparation method and application thereof UNIV LIAONING NORMAL 2013-04-24 CN claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-9388282-B2 Method of thiophenol removal from poly(arylene sulfide) polymer compositions SOLVAY SPECIALTY POLYMERS USA, LLC. (US) 2016-07-12 US disclosed
US-20160168357-A1 Poly(Arylene Sulfide) Compositions and Processes of Producing Same SOLVAY SA (BE) 2016-06-16 US disclosed
US-20160145393-A1 PROCESS FOR PRODUCTION OF POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-26 US disclosed
WO-2016079243-A1 A PROCESS FOR PRODUCTION OF POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-26 WO disclosed
US-20160130400-A1 CONTINUOUS PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-12 US disclosed
WO-2016071341-A1 A CONTINUOUS PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-12 WO disclosed
WO-2016038218-A1 A PROCESS FOR PREVENTING THIOPHENOL FORMATION AND/OR ACCUMULATION DURING PRODUCTION OF POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-03-17 WO disclosed
US-20160075832-A1 Process for Preventing Thiophenol Formation and/or Accumulation During Production of Poly(Arylene Sulfide) SOLVAY SA (BE) 2016-03-17 US disclosed
US-20150105524-A1 Method of Improving the Melt Properties of Poly(Arylene Sulfide) Polymers CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-04-16 US disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
CN-103055723-A Cross-linking type polybenzimidazole porous separation membrane and preparation method and application thereof UNIV LIAONING NORMAL 2013-04-24 CN disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
US-5015710-A Catalytic addition polymerization HERCULES INCORPORATED (US) 1991-05-14 US disclosed
EP-0423521-A1 Process for producing polymer molded article HERCULES INCORPORATED (US) 1991-04-24 EP 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 (2 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 PNMT 2489/4885TAAR1 3270/4885IDO1 2957/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 PNMT 309/4885TAAR1 2273/4885IDO1 2211/4885

“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.