SCHEMBL16099416

SCHEMBL16099416

O=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ ITGA5 P08648 1/20 0.56
▸ ITGA4 P13612 1/20 0.56
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CCR1 P32246 6/20 0.43
▸ DGAT1 O75907 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16099417 1.00 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098735 0.83 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098738 0.83 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099172 0.82 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099171 0.82 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099000 0.82 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098997 0.82 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099706 0.81 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098318 0.81 L3MBTL1 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099707 0.81 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 — — WO disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 — — 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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 ITGB3 4019/4885ITGB1 4032/4885ITGAV 4572/4885

“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.

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