SCHEMBL5657752

SCHEMBL5657752

Nc1ccc(C(O)c2ccc(Cl)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
S1PR3 Q99500 14/20 0.38
S1PR4 O95977 8/20 0.38
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL30910928 0.89 BRD4 (0.46) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL21831379 0.89 BRD4 (0.46) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL21910243 0.83 BRD4 (0.51) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL21831494 0.83 LMNA (0.44) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL31283048 0.82 ALDH1A1 (0.46) BRD4S1PR3S1PR4S1PR2L3MBTL1
SCHEMBL132881 0.82 ALDH1A1 (0.46) BRD4S1PR3S1PR4S1PR2L3MBTL1
SCHEMBL5657348 0.79 NOS3 (0.42) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL23882704 0.79 S1PR3 (0.54) S1PR3S1PR4S1PR2S1PR1
SCHEMBL5133507 0.77 LTA4H (0.37) BRD4S1PR3S1PR4S1PR2S1PR1
SCHEMBL20804108 0.77 MAOA (0.48) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 BRD4 156/4885S1PR3 1042/4885S1PR4 867/4885

“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.