SCHEMBL16620661

SCHEMBL16620661

O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.72
TRPV1 Q8NER1 8/20 0.67
CASR P41180 1/20 0.61
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA7 P43166 4/20 0.60
CA9 Q16790 4/20 0.60
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
XBP1 P17861 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KCNJ5 P48544 1/20 0.57
KCNJ3 P48549 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 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
SCHEMBL18615348 0.89 KDR (0.85) KDRTRPV1CASRCA1CA2
SCHEMBL16628086 0.88 KDR (0.68) KDRTRPV1CA1CA2CA7
SCHEMBL16628038 0.87 LMNA (0.61) KDRTRPV1CASRCA1CA2
SCHEMBL118026 0.85 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL29364392 0.85 KDR (1.00) KDRTRPV1CA1CA2CA7
SCHEMBL19678074 0.85 SAE1 (0.56) KDRTRPV1CA1CA2CA9
SCHEMBL3790500 0.84 KDR (0.64) KDRTRPV1CASRCA1CA2
SCHEMBL12310641 0.84 KDR (0.76) KDRTRPV1CA1CA2CA7
SCHEMBL19668016 0.83 KDR (0.74) KDRTRPV1CASRCA1CA2
Cloflucarban SCHEMBL27537485 0.82 KDR (0.88) 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 6 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
CN-109890804-A Compounds containing urea moieties and derivatives thereof as antibacterial agents 慕尼黑工业大学 2019-06-14 CN disclosed
WO-2017207556-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2017-12-07 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 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 3838/4885CASR 2855/4885

“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.