SCHEMBL5656240

SCHEMBL5656240

CCOc1cc([N+](=O)[O-])ccc1C(O)c1cc(C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
P4HB P07237 1/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5657623 0.89 HTT (0.45) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL5654269 0.79 KDM4E (0.42) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL5655395 0.74 ALDH1A1 (0.48) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL5656333 0.72 CNR2 (0.39) MAPTKMT2AALDH1A1NPSR1MEN1
SCHEMBL29739542 0.71 ALDH1A1 (0.56) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL1979913 0.71 ALDH1A1 (0.56) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL30365378 0.70 MAPT (0.62) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL4238772 0.70 MAPT (0.62) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL4233807 0.70 ALDH1A1 (0.53) POLBMAPTKMT2ALMNAALDH1A1
SCHEMBL5656690 0.69 L3MBTL1 (0.44) POLBMAPTKMT2ALMNAALDH1A1

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 POLB 3578/4885MAPT 3095/4885KMT2A 391/4885

“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.