SCHEMBL16098316

SCHEMBL16098316

O=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 9/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ITGB3 P05106 1/20 0.57
▸ ITGB1 P05556 1/20 0.57
▸ ITGAV P06756 1/20 0.57
▸ ITGA5 P08648 1/20 0.57
▸ ITGA4 P13612 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SHMT2 P34897 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL16098318 1.00 L3MBTL1 (0.58) L3MBTL1NPSR1KMT2ALMNAMEN1
SCHEMBL16099401 0.86 ITGB3 (0.67) NPSR1KMT2ALMNAMEN1ITGB3
SCHEMBL16099403 0.86 ITGB3 (0.67) NPSR1KMT2ALMNAMEN1ITGB3
SCHEMBL16099000 0.82 ITGB3 (0.59) KMT2AITGB3ITGB1ITGAVITGA5
SCHEMBL16098997 0.82 ITGB3 (0.59) KMT2AITGB3ITGB1ITGAVITGA5
SCHEMBL16099416 0.81 ITGB3 (0.56) L3MBTL1KMT2AITGB3ITGB1ITGAV
SCHEMBL16099417 0.81 ITGB3 (0.56) L3MBTL1KMT2AITGB3ITGB1ITGAV
SCHEMBL16098311 0.80 ITGB3 (0.59) KMT2AITGB3ITGB1ITGAVITGA5
SCHEMBL16098309 0.80 ITGB3 (0.59) KMT2AITGB3ITGB1ITGAVITGA5
SCHEMBL16098444 0.79 ITGB3 (0.67) NPSR1KMT2AITGB3ITGB1ITGAV

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 11 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 claimed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US claimed
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 claimed
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-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
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 L3MBTL1 2268/4885NPSR1 2668/4885KMT2A 4544/4885

“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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