SCHEMBL5654822

SCHEMBL5654822

O=[N+]([O-])c1ccc(C(O)c2ccccn2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.54
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5656690 0.84 L3MBTL1 (0.44) PDE7AALDH1A1TP53NPC1RAB9A
SCHEMBL21835285 0.83 PDE7A (0.53) PDE7AALDH1A1TP53NPC1RAB9A
SCHEMBL5655395 0.81 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL6252754 0.80 PDE7A (0.47) PDE7AALDH1A1TP53NPC1RAB9A
SCHEMBL5205156 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL23610038 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL17064455 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL31143620 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL31067472 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APKMKMT2A
SCHEMBL31143595 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APKMKMT2A

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 7 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
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 PDE7A 4305/4885ALDH1A1 519/4885TP53 4651/4885

“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.