SCHEMBL3298403

SCHEMBL3298403

Fc1cccc([CH]c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.68
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
THPO P40225 1/20 0.56
NPC1 O15118 1/20 0.56
CHRM5 P08912 1/20 0.56
GRM5 P41594 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
PTGS1 P23219 3/20 0.48
PTGS2 P35354 1/20 0.48
NQO2 P16083 1/20 0.47
FBP1 P09467 1/20 0.46
RELA Q04206 1/20 0.44
IKBKB O14920 1/20 0.43
FGFR1 P11362 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
SCHEMBL3300301 0.93 NFE2L2 (0.71) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240554 0.88 NFE2L2 (0.69) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240610 0.83 NFE2L2 (0.54) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240598 0.83 NFE2L2 (0.72) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL700304 0.81 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL14401249 0.81 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL700305 0.81 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL29446272 0.81 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240697 0.80 ACHE (0.64) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL18240567 0.80 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2D6PKM

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 33 patents — showing the first 20. 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
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-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
US-5661106-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-08-26 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0695296-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-07 EP disclosed
WO-1994025443-A1 3-(HETERO)ARYLOXY(THIO) CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B NFE2L2 387/4885CYP1A2 665/4885CYP3A4 2846/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885CYP1A2 3803/4885CYP3A4 2679/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 NFE2L2 3204/4885CYP1A2 2881/4885CYP3A4 1821/4885

“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.