SCHEMBL19677976

SCHEMBL19677976

O=C(Nc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.88
TRPV1 Q8NER1 14/20 0.74
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA7 P43166 3/20 0.74
CA9 Q16790 3/20 0.74
PDK1 Q15118 1/20 0.64
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62

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
SCHEMBL118026 0.94 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL29364392 0.94 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL18615348 0.92 KDR (0.85) KDRTRPV1CA1CA2CA7
SCHEMBL12694509 0.90 KDR (0.76) KDRTRPV1CA1CA2CA7
SCHEMBL4548158 0.89 KDR (0.90) KDRTRPV1CA1CA2CA7
SCHEMBL618428 0.89 KDR (0.74) KDRTRPV1CA1CA2CA7
Cloflucarban SCHEMBL27537485 0.88 KDR (0.88) KDRTRPV1CA1CA2CA7
SCHEMBL10220062 0.88 KDR (0.88) KDRTRPV1CA1CA2CA7
Cloflucarban SCHEMBL119821 0.88 KDR (0.88) KDRTRPV1CA1CA2CA7
SCHEMBL11187741 0.87 CA1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464260-B1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UNIV MUENCHEN TECH (DE) 2021-10-27 EP disclosed
US-20210009550-A1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2021-01-14 US disclosed
WO-2017207556-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2017-12-07 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 (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-20210009550-A1 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS UMPS, UNG, UFM1 KDR 3399/4885TRPV1 3838/4885CA1 4624/4885

“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.