SCHEMBL3302008

SCHEMBL3302008

Clc1cccc(Cc2cccc(Cl)c2Cl)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.68
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 3/20 0.58
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
CYP2A13 Q16696 2/20 0.47
TSHR P16473 1/20 0.46
HSP90AA1 P07900 1/20 0.45
GPR84 Q9NQS5 1/20 0.43
DBH P09172 1/20 0.43
CYP1A2 P05177 2/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL6337201 0.93 PNMT (0.60) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL11520705 0.91 PNMT (0.58) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL11828147 0.87 PNMT (0.60) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL26849008 0.87 PNMT (0.54) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL27396074 0.85 PNMT (0.57) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL16933811 0.85 PNMT (0.52) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL3301733 0.84 PNMT (0.56) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL10965769 0.83 CYP1A2 (0.54) PNMTTAAR1IDO1ALDH1A1CYP1A2
SCHEMBL283449 0.81 PNMT (0.65) PNMTTAAR1IDO1KDM4EALDH1A1
SCHEMBL42705 0.81 PNMT (1.00) PNMTTAAR1IDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2020131678-A1 CLEANSING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2020-06-25 WO disclosed
WO-2017063848-A1 SANITISING AND DISINFECTING COMPOSITIONS UNILEVER N.V. (NL) 2017-04-20 WO 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
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
EP-0817607-A1 LIQUID CLEANSING FORMULATIONS UNILEVER PLC (GB) 1998-01-14 EP disclosed
WO-1996029049-A1 LIQUID CLEANSING FORMULATIONS UNILEVER PLC (GB) 1996-09-26 WO disclosed
EP-0428081-B1 Method for producing diarylmethanes KUREHA CHEMICAL IND CO LTD (JP) 1994-05-04 EP disclosed
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US disclosed
US-5073176-A Permselective E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-17 US disclosed
US-5068481-A Reaction of benzyl chloride with benzene or alkylbenzene in the presence of a zeolite catalyst KUREHA KAGAKU KOGYO K.K. (JP) 1991-11-26 US disclosed
EP-0428081-A1 Method for producing diarylmethanes KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-22 EP disclosed
EP-0282266-A2 Process for producing carboxylic acid amides or esters NIHON NOHYAKU CO., LTD. (JP) 1988-09-14 EP disclosed
US-4434246-A Process for preparing ethylene glycol and lower monohydric alcohols from syngas using a novel catalyst system TEXACO INC. (US) 1984-02-28 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 (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.