SCHEMBL798036

SCHEMBL798036

O=[N+]([O-])/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.63
KDM4A O75164 1/20 0.58
KDM4B O94953 1/20 0.58
EGFR P00533 2/20 0.58
ABL1 P00519 1/20 0.58
ABL2 P42684 1/20 0.58
VCP P55072 4/20 0.53
HSP90AA1 P07900 1/20 0.52
NPC1 O15118 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TERT O14746 1/20 0.49

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
SCHEMBL794027 1.00 FBP1 (0.63) FBP1KDM4AKDM4BEGFRABL1
SCHEMBL807786 0.84 VCP (0.61) FBP1EGFRABL1ABL2VCP
SCHEMBL793479 0.84 VCP (0.66) FBP1EGFRABL1ABL2VCP
SCHEMBL1976021 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL13773077 0.84 EGFR (0.72) FBP1EGFRABL1ABL2VCP
SCHEMBL793577 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL807974 0.84 VCP (0.66) FBP1EGFRABL1ABL2VCP
SCHEMBL560425 0.84 VCAM1 (0.67) FBP1KDM4AKDM4BEGFRABL1
SCHEMBL793177 0.84 VCP (0.61) FBP1EGFRABL1ABL2VCP
SCHEMBL8010226 0.84 EGFR (0.72) FBP1EGFRABL1ABL2VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280030-B Benzazaylalkyl aryl piperazine derivative and application thereof in preparing medicines 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
US-9206124-B2 Treatment of drug-resistant cancer with 2-aryl-2-(3-indolyl) acetohydroxamates NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2015-04-16 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
US-5455263-A Administering substituted arylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1995-10-03 US disclosed
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP disclosed
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 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-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 FBP1 4633/4885KDM4A 3104/4885KDM4B 3068/4885
US-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B FBP1 1093/4885KDM4A 3780/4885KDM4B 3716/4885

“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.