SCHEMBL5656333

SCHEMBL5656333

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CFTR P13569 1/20 0.37
CYP19A1 P11511 5/20 0.37
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
METAP1 P53582 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5655395 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1PKMAPOBEC3A
SCHEMBL5656982 0.81 CNR2 (0.40) CNR2ALDH1A1KMT2AMEN1PKM
SCHEMBL5654822 0.77 PDE7A (0.54) ALDH1A1KMT2AMEN1PKMHTT
SCHEMBL5656690 0.77 L3MBTL1 (0.44) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL10970839 0.73 MPI (0.47) ALDH1A1KMT2AMEN1HTTCFTR
SCHEMBL5656240 0.72 POLB (0.41) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL21497160 0.70 CYP1A2 (0.49) ALDH1A1KMT2AMEN1PKMHTT
SCHEMBL26644378 0.70 ALDH1A1 (0.49) ALDH1A1HTTCFTRCYP19A1MPI
SCHEMBL5205156 0.70 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL23610038 0.70 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1PKMHTT

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 CNR2 170/4885ALDH1A1 519/4885KMT2A 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.