SCHEMBL6808563

SCHEMBL6808563

COC(=O)C(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)NC(=O)N1CCCC1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 6/20 0.38
ACE P12821 3/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
ACE2 Q9BYF1 2/20 0.34

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
SCHEMBL6807609 0.93 ITGB2 (0.39) TACR1ACEPOLBACE2
SCHEMBL6808532 0.91 ALDH1A1 (0.40) TACR1POLB
SCHEMBL6808926 0.86 MEN1 (0.42) ATMTACR1ACEMEN1KMT2A
SCHEMBL6807916 0.85 ITGB2 (0.43) L3MBTL1ACEACE2
SCHEMBL6812605 0.85 ITGB2 (0.40) TACR1POLB
SCHEMBL6803199 0.84 ITGB1 (0.40) ATML3MBTL1TACR1ACEMEN1
SCHEMBL6807454 0.84 GAA (0.42) TACR1POLBMEN1KMT2AGAA
SCHEMBL6808473 0.83 ITGB2 (0.42) ATML3MBTL1ACE
SCHEMBL6807751 0.83 CYP3A4 (0.40) POLBGAA
SCHEMBL6807946 0.83 GAA (0.44) POLBGAA

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 ATM 2410/4885L3MBTL1 4736/4885TACR1 2733/4885

“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.