SCHEMBL3453582

SCHEMBL3453582

CC(C)c1nc(C(Cc2ccncc2)OC(N)=O)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7080940 0.91 MEN1 (0.31) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL597335 0.91 MEN1 (0.31) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL6160994 0.90 KDM4E (0.32) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL6167207 0.87 GPR142 (0.31) KDM4EALDH1A1LMNAHTTL3MBTL1
Carbamic Acid SCHEMBL4573817 0.87 CDC7 (0.33) CDC7ALDH1A1
SCHEMBL6970653 0.85
SCHEMBL6973846 0.85
SCHEMBL5623524 0.84 ALDH1A1 (0.30) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6973238 0.84 CYP1A2 (0.33)
SCHEMBL7081545 0.83 CSNK2A2 (0.34) KMT2AKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US claimed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 US claimed
EP-1569931-B1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP claimed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US claimed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1569647-B1 CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-20 EP claimed
US-20080194554-A1 Hiv Protease Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
EP-1172097-B1 PROCESS FOR PRODUCING MEDICINAL COMPOSITION OF A BASIC HYDROPHOBIC MEDICINAL COMPOUND SHIONOGI & CO (JP) 2004-09-08 EP claimed
WO-2004055010-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004054581-A2 CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION 2004-06-24 US claimed
EP-1363877-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070470-A2 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE SMITHKLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed
EP-1172097-A1 PROCESS FOR PRODUCING MEDICINAL COMPOSITION OF BASIC HYDROPHOBIC MEDICINAL COMPOUND SHIONOGI & CO., LTD. (JP) 2002-01-16 EP claimed
US-6194391-B1 CS-87 (TITLE COMPOUND) INDUCES A TRANSIENT MUTATION IN HIV-1 AT THE 70TH CODON OF THE REVERSE TRANSCRIPTASE REGION OF THE VIRUS; ADMINISTERING TO A HUMAN IN NEED OF THERAPY WITH A DRUG THAT INDUCES A MUTATION IN HIV-1 AT ANOTHER LOCATION EMORY UNIVERSITY 2001-02-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 CDC7 591/4885MEN1 4508/4885MAPT 4293/4885
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A CDC7 1734/4885MEN1 4875/4885MAPT 1761/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 CDC7 516/4885MEN1 4841/4885MAPT 1113/4885
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 CDC7 971/4885MEN1 3557/4885MAPT 1724/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 CDC7 276/4885MEN1 4822/4885MAPT 912/4885
US-20080194554-A1 Hiv Protease Inhibitors PREP, DNPEP, ANPEP CDC7 1873/4885MEN1 4822/4885MAPT 693/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 CDC7 501/4885MEN1 4832/4885MAPT 1028/4885

“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.