SCHEMBL2680915

SCHEMBL2680915

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.76
TRPV1 Q8NER1 10/20 0.63
CA9 Q16790 6/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA7 P43166 5/20 0.63
PDK1 Q15118 1/20 0.57
TMPRSS4 Q9NRS4 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL4548243 0.89 KDR (0.80) KDRTRPV1CA9CA1CA2
SCHEMBL13556584 0.87 KDR (0.82) KDRTRPV1CA9CA1CA2
SCHEMBL29364392 0.87 KDR (1.00) KDRTRPV1CA9CA1CA2
SCHEMBL118026 0.87 KDR (1.00) KDRTRPV1CA9CA1CA2
SCHEMBL20016691 0.86 LMNA (0.64) KDRTRPV1CA9CA1CA2
SCHEMBL9084296 0.86 KDR (0.85) KDRTRPV1CA9CA1CA2
SCHEMBL23235029 0.85 KDR (0.74) KDRTRPV1CA9CA1CA2
SCHEMBL14146746 0.85 KDR (0.74) KDRTRPV1CA9CA1CA2
SCHEMBL29670450 0.85 KDR (0.74) KDRTRPV1CA9CA1CA2
SCHEMBL13004799 0.85 KDR (0.82) KDRTRPV1CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
WO-2012162025-A1 METHODS OF SELECTING CANCER PATIENTS FOR TREATMENT WITH N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-29 WO disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT KDR 4697/4885TRPV1 4318/4885CA9 4852/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KDR 4697/4885TRPV1 4318/4885CA9 4852/4885

“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.