SCHEMBL6430898

SCHEMBL6430898

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.72
TRPV1 Q8NER1 16/20 0.60
PDK1 Q15118 1/20 0.58
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57

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
SCHEMBL5950423 0.91 KDR (0.74) KDRTRPV1PDK1CA1CA2
SCHEMBL28901338 0.90 KDR (0.72) KDRTRPV1PDK1CA1CA2
SCHEMBL6430968 0.89 KDR (0.70) KDRTRPV1
SCHEMBL29494948 0.85 KDR (0.82) KDRTRPV1PDK1CA1CA2
SCHEMBL22092657 0.85 KDR (0.82) KDRTRPV1PDK1CA1CA2
SCHEMBL6438545 0.85 SLC2A1 (0.72) CA1CA2CA9
SCHEMBL118026 0.85 KDR (1.00) KDRTRPV1PDK1CA1CA2
SCHEMBL29364392 0.85 KDR (1.00) KDRTRPV1PDK1CA1CA2
SCHEMBL12320168 0.84 KDR (0.70) KDRTRPV1PDK1CA1CA2
SCHEMBL14714426 0.82 TRPV1 (0.78) 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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US claimed
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 KDR 4778/4885TRPV1 206/4885PDK1 3544/4885

“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.