SCHEMBL1122981

SCHEMBL1122981

O=C(NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.52
ICAM1 P05362 5/20 0.52
ITGAL P20701 5/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 1/20 0.49
GPR132 Q9UNW8 4/20 0.49
ERAP2 Q6P179 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
TACR1 P25103 2/20 0.47
ADAM17 P78536 1/20 0.45
LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL1123056 0.92 PPARG (0.54) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1122844 0.91 MEN1 (0.63) MEN1KMT2APPARGGPR132ERAP2
SCHEMBL28757743 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1123375 0.84 PPARG (0.65) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1123228 0.84 GPR132 (0.60) PPARGGPR132
SCHEMBL1123192 0.84 GPR132 (0.63) PPARGGPR132
SCHEMBL1122887 0.84 TACR1 (0.54) MEN1KMT2APPARGGPR132ERAP2
SCHEMBL1122929 0.82 PPARG (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL1123378 0.80 GPR132 (0.57) GPR132
SCHEMBL1123431 0.78 GPR132 (0.61) GPR132

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 US disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG ITGB2 2389/4885ICAM1 3103/4885ITGAL 2297/4885

“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.