SCHEMBL5656046

SCHEMBL5656046

CCCOc1cccnc1C(O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
MCHR1 Q99705 2/20 0.39
GRM5 P41594 1/20 0.37
PDE5A O76074 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL5206628 0.83 ACHE (0.44) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL14200032 0.76 GRM5 (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL5656585 0.75 NOS3 (0.44) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL4030404 0.71 MAPT (0.40) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL1921438 0.71 LTA4H (0.56) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL23748189 0.70 LMNA (0.44) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL30616739 0.70 ACHE (0.45) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL23293402 0.70 ACHE (0.45) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5656072 0.68 ALDH1A1 (0.38) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL25887363 0.66 IKBKB (0.44) GAAMEN1KMT2AMAPTALDH1A1

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 GAA 2987/4885MEN1 729/4885KMT2A 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.