SCHEMBL6807946

SCHEMBL6807946

COC(=O)C(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)NC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
CALCA P06881 3/20 0.38
CCR1 P32246 3/20 0.37
KDM4E B2RXH2 1/20 0.36
PSMB5 P28074 1/20 0.36
DGAT1 O75907 2/20 0.36
CACNA1H O95180 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKG1 Q13976 1/20 0.35

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
SCHEMBL6808434 0.92 ITGB2 (0.41) POLBCALCACCR1PSMB5DGAT1
SCHEMBL6807625 0.90 MEN1 (0.47) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6807436 0.89 CCR2 (0.46) POLBKDM4EITGB2ICAM1ITGAL
SCHEMBL6807454 0.89 GAA (0.42) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6807751 0.88 CYP3A4 (0.40) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6808040 0.88 GAA (0.40) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6808623 0.88 CYP3A4 (0.42) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6807848 0.86 TACR1 (0.40) GAAPOLBCALCAITGB2ICAM1
SCHEMBL6808154 0.85 TACR1 (0.40) GAACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6803011 0.85 CALCRL (0.52) CYP3A4

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 GAA 2094/4885CYP3A4 3783/4885CYP2D6 4452/4885

“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.