SCHEMBL2073631

SCHEMBL2073631

Fc1[c][nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GPR3 P46089 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 6/20 0.34
GAA P10253 3/20 0.34
AHR P35869 3/20 0.34
GLA P06280 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
ATM Q13315 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR4A2 P43354 1/20 0.34
ALOX5 P09917 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
PARP1 P09874 2/20 0.32
CYP3A4 P08684 2/20 0.32
TNKS O95271 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3463581 0.83 KDM4E (0.48) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL570354 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL127256 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL546371 0.71 CYP1A2 (0.42) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL650736 0.71 KDM4E (0.41) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL9723837 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL28274175 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL1639050 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL3849040 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA
SCHEMBL27449875 0.71 ALDH1A1 (0.40) ALDH1A1GPR3HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US claimed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 US claimed
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP disclosed
US-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC CORPORATION (JP) 2018-08-30 US disclosed
EP-3342769-A1 ORGANIC COMPOUND, METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC Corporation (JP) 2018-07-04 EP disclosed
US-9490433-B2 Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC CORPORATION (JP) 2015-08-13 US disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
EP-2894685-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC Corporation (JP) 2015-07-15 EP disclosed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO disclosed
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
US-5801147-A ADMINISTERING A POLYPEPTIDE AS AMIDE, ESTER OR SALT FOR NERVE ACTIVATION AND GASTRIC INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-01 US disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed
US-5623050-A NERVE ACTIVATING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-22 US disclosed
EP-0529487-A2 PACAP derivatives having c-AMP producing activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 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-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME TST, SOAT1, SOAT2 ALDH1A1 542/4885GPR3 4865/4885HSD17B10 659/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR ALDH1A1 724/4885GPR3 4375/4885HSD17B10 526/4885

“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.