SCHEMBL6807436

SCHEMBL6807436

COC(=O)C(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.46
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CALCRL Q16602 1/20 0.41
CHRM4 P08173 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6808861 0.92 CCR2 (0.51) CCR2KDM4EBRD4ALDH1A1POLB
SCHEMBL6807946 0.89 GAA (0.44) KDM4EPOLBITGB2ICAM1ITGAL
SCHEMBL6807751 0.85 CYP3A4 (0.40) KDM4EPOLBCALCRL
SCHEMBL6807625 0.85 MEN1 (0.47) KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL6808040 0.85 GAA (0.40) POLBCALCRL
SCHEMBL6803011 0.85 CALCRL (0.52) ALDH1A1CALCRLCHRM4
SCHEMBL6807454 0.84 GAA (0.42) POLBMAPTKMT2A
SCHEMBL6808623 0.84 CYP3A4 (0.42) KDM4EPOLBITGB2ICAM1ITGAL
SCHEMBL6803451 0.82 CALCRL (0.40) CALCRL
SCHEMBL6808434 0.82 ITGB2 (0.41) CCR2POLBITGB2ICAM1ITGAL

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 CCR2 2521/4885KDM4E 2590/4885BRD4 2591/4885

“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.