SCHEMBL5950271

SCHEMBL5950271

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1-c1nnn[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.57
TRPV1 Q8NER1 9/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
AURKB Q96GD4 1/20 0.46
BLM P54132 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1463047 0.86 KDR (0.57) KDRTRPV1CA1CA2CA7
SCHEMBL1463434 0.85 HTR2A (0.41) KDRCA1CA2CA9
SCHEMBL1463280 0.85 KDR (0.56) KDRTRPV1CA1CA2CA7
SCHEMBL4555014 0.84 KDR (0.64) KDRTRPV1CA1CA2CA7
SCHEMBL5950229 0.84 P2RY1 (0.46) TRPV1CA1CA2CA9
SCHEMBL5950708 0.83 CA1 (0.40) KDRCA1CA2CA9
SCHEMBL5950634 0.82 CA1 (0.37) KDRCA1CA2CA9
SCHEMBL3577666 0.82 KDR (0.52) KDRTRPV1BLM
SCHEMBL4554995 0.81 BRAF (0.61) KDRTRPV1CA1CA2CA7
SCHEMBL1463337 0.81 KDR (0.54) KDRTRPV1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US claimed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 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 (1 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C KDR 230/4885TRPV1 8/4885CA1 1482/4885

“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.