SCHEMBL4548158

SCHEMBL4548158

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.90
EPHX1 P07099 2/20 0.71
EPHX2 P34913 2/20 0.71
TRPV1 Q8NER1 6/20 0.68
CA2 P00918 5/20 0.68
CA9 Q16790 5/20 0.68
CA1 P00915 4/20 0.68
CA7 P43166 4/20 0.68
PDK1 Q15118 1/20 0.66
SLC2A1 P11166 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
LMNA P02545 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
SLC6A2 P23975 1/20 0.63
PDE4A P27815 1/20 0.63

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
SCHEMBL29364392 0.95 KDR (1.00) KDRTRPV1CA2CA9CA1
SCHEMBL118026 0.95 KDR (1.00) KDRTRPV1CA2CA9CA1
Cloflucarban SCHEMBL28866649 0.94 KDR (0.80) KDREPHX1EPHX2TRPV1CA2
SCHEMBL10220062 0.92 KDR (0.88) KDREPHX1EPHX2TRPV1CA2
SCHEMBL11005058 0.91 KDR (0.85) KDREPHX1EPHX2TRPV1CA2
SCHEMBL9084605 0.89 KDR (0.72) KDREPHX1EPHX2TRPV1CA2
Cloflucarban SCHEMBL27537485 0.89 KDR (0.88) KDREPHX1EPHX2TRPV1CA2
SCHEMBL19677976 0.89 KDR (0.88) KDRTRPV1CA2CA9CA1
Cloflucarban SCHEMBL119821 0.89 KDR (0.88) KDREPHX1EPHX2TRPV1CA2
SCHEMBL22103803 0.88 KDR (0.70) KDREPHX1EPHX2TRPV1CA2

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 8 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
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

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 4697/4885EPHX1 2632/4885EPHX2 3547/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KDR 4697/4885EPHX1 2632/4885EPHX2 3547/4885

“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.