SCHEMBL6807625

SCHEMBL6807625

COC(=O)C(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)NC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
POLB P06746 3/20 0.46
FAAH O00519 4/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB5 P28074 2/20 0.40
CCR3 P51677 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.38

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
SCHEMBL6803484 0.93 POLB (0.55) MEN1KMT2APOLBFAAHCYP2C9
SCHEMBL6807946 0.90 GAA (0.44) GAAPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL6807454 0.88 GAA (0.42) MEN1KMT2AGAAPOLBCYP3A4
SCHEMBL6807751 0.87 CYP3A4 (0.40) GAAPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL6808040 0.87 GAA (0.40) GAAPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL6808623 0.86 CYP3A4 (0.42) MEN1KMT2AGAAPOLBCYP3A4
SCHEMBL6809212 0.86 POLB (0.53) MEN1KMT2AGAAPOLBFAAH
SCHEMBL6807436 0.85 CCR2 (0.46) KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL6807897 0.85 POLB (0.55) MEN1KMT2APOLBFAAHCYP2C9
SCHEMBL6808154 0.84 TACR1 (0.40) GAAPOLBCYP3A4CYP2D6CYP2C9

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM MEN1 4217/4885KMT2A 3270/4885GAA 2094/4885

“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.