SCHEMBL4555004

SCHEMBL4555004

N#Cc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.70
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
TRPV1 Q8NER1 12/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
MCHR1 Q99705 1/20 0.55
EPHX2 P34913 1/20 0.55

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
SCHEMBL4554203 0.88 KDR (0.76) KDRMEN1ALDH1A1MAPTKMT2A
SCHEMBL10220060 0.88 KDR (0.70) KDRTRPV1CA1CA2CA7
SCHEMBL16620784 0.87 KDR (0.73) KDRMEN1KMT2ACA7CA9
SCHEMBL19677976 0.87 KDR (0.88) KDRTRPV1CA1CA2CA7
Sc-43 SCHEMBL14684295 0.84 RAF1 (0.67) KDRCA1CA2CA7CA9
Sc-43 SCHEMBL29492117 0.84 RAF1 (0.67) KDRCA1CA2CA7CA9
Sc-43 SCHEMBL29367145 0.84 RAF1 (0.67) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.84 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL118026 0.84 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL31125175 0.83 KDR (0.76) KDRMAPTTRPV1CA1CA2

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 4 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-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-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

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 4697/4885MEN1 2936/4885ALDH1A1 3464/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KDR 4697/4885MEN1 2936/4885ALDH1A1 3464/4885

“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.