SCHEMBL3335014

SCHEMBL3335014

Clc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HPGD P15428 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
KDM4E B2RXH2 4/20 0.61
NPC1 O15118 4/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 3/20 0.61
HSD17B10 Q99714 3/20 0.61
GAA P10253 2/20 0.61
APP P05067 1/20 0.61
NFKB1 P19838 1/20 0.61
SNCA P37840 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MCL1 Q07820 1/20 0.61
MAPK1 P28482 2/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL9032997 0.98 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9033307 0.93 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3333026 0.90 KDM4E (0.61) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5761334 0.90 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL22955330 0.90 KDM4E (0.71) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15245092 0.90 KDM4E (0.71) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10380499 0.90 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7394693 0.90 KDM4E (0.54) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3335842 0.89 KDM4E (0.76) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL1171146 0.88 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012613-A1 METHOD FOR TREATING AND PREVENTING INFLAMMATION AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO claimed
CN-104817697-B A kind of branched polyphenylene sulfide copolymer and preparation method thereof containing condensed-nuclei aromatics 常州大学 2018-10-19 CN disclosed
CN-104744697-B Polyphenylene sulfide copolymer containing p-phenyl dibenzyl structural unit and preparation method for polyphenylene sulfide copolymer 常州大学 2017-05-24 CN disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
CN-101402731-A Polyphenylene sulfide copolymer containing aromatic heterocycle, preparation method, application and product thereof DEYANG KEJI NEW MATERIAL CO LT (CN) 2009-04-08 CN disclosed
US-6001866-A ADMINISTERING A COMPOUND WHICH IS AN INHIBITOR OF THE ENZYME 15-LIPOXYGENASE (15-LO). WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5972980-A ADMINISTERING AN LIPOXYGENASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-10-26 US disclosed
WO-1997012613-A1 METHOD FOR TREATING AND PREVENTING INFLAMMATION AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed
EP-0511187-B1 Process for the preparation of 1H-benzimidazoles UCB SA (BE) 1996-11-20 EP disclosed
EP-0511187-A1 Process for the preparation of 1H-benzimidazoles U C B, S.A. (BE) 1992-10-28 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 (1 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 ALDH1A1 448/4885HPGD 527/4885MEN1 163/4885

“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.