SCHEMBL3301781

SCHEMBL3301781

Clc1cccc(Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.58
CALM1 P0DP23 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
TAAR1 Q96RJ0 3/20 0.54
CYP3A4 P08684 3/20 0.52
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PGR P06401 1/20 0.51
GRIN2B Q13224 1/20 0.50
DAO P14920 1/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48

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
Ammonia Solution, Strong SCHEMBL18010559 0.98 PNMT (0.56) PNMTCALM1SIGMAR1TAAR1CYP3A4
SCHEMBL3300276 0.93 PNMT (0.65) PNMTSIGMAR1TAAR1CYP3A4IDO1
SCHEMBL2093970 0.88 PNMT (0.56) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL8993096 0.85 PNMT (0.52) PNMTSIGMAR1TAAR1CYP3A4IDO1
SCHEMBL27934848 0.83 CALM1 (0.60) PNMTCALM1SIGMAR1TAAR1CYP3A4
SCHEMBL16770503 0.83 CALM1 (0.60) PNMTCALM1SIGMAR1TAAR1CYP3A4
SCHEMBL22040237 0.83 TAAR1 (0.52) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL21384185 0.83 TAAR1 (0.57) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL14396813 0.83 MEN1 (0.51) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL3022914 0.83 PNMT (0.50) PNMTSIGMAR1TAAR1CYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP 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
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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
CN-114423766-B Pentane derivatives for the treatment of bacterial infections 丹诺医药(苏州)有限公司 2024-05-17 CN disclosed
US-20240023359-A1 ORGANIC LIGHT-EMITTING DEVICE COMPRISING NOVEL ORGANIC COMPOUND IN EMISSION LAYER SFC CO., LTD. (KR) 2024-01-18 US disclosed
US-20230232650-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC COMPOUNDS SFC CO., LTD (KR) 2023-07-20 US disclosed
US-20230183200-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD (KR) 2023-06-15 US disclosed
US-20230165032-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUNDS SFC CO., LTD (KR) 2023-05-25 US disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 WO disclosed
CN-107188864-B A kind of N- benzyl benzoxazoles ketone compound and its synthetic method 安徽师范大学 2019-06-04 CN 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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed
EP-0306025-B1 Process for producing polyarylene sulfide IDEMITSU PETROCHEMICAL CO (JP) 1994-02-02 EP disclosed
EP-0306025-A2 Process for producing polyarylene sulfide IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-03-08 EP disclosed
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
US-4433160-A Process for producing α-arylalkanoic acid ester TAISHO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 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-20230183200-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TRPA1, CRY2, SUN2 PNMT 814/4885CALM1 3420/4885SIGMAR1 3325/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 PNMT 2489/4885CALM1 143/4885SIGMAR1 1748/4885

“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.