SCHEMBL5654702

SCHEMBL5654702

Nc1ccc(CSc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
MAOB P27338 2/20 0.45
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
HSD17B3 P37058 1/20 0.43
PTGS1 P23219 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SCN9A Q15858 1/20 0.42
KIF11 P52732 1/20 0.41
ALOX15B O15296 1/20 0.40
RAB9A P51151 1/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39

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
SCHEMBL5321466 0.91 MAPT (0.60) MAPTMAOBALDH1A1IDO1L3MBTL1
SCHEMBL5318232 0.79 RAB9A (0.47) MAPTALDH1A1KDM4EL3MBTL1SCN9A
SCHEMBL5321338 0.76 CXCR2 (0.47) MAPTMAOBALDH1A1KDM4EIDO1
SCHEMBL5377048 0.76 ALDH1A1 (0.61) MAPTMAOBALDH1A1KDM4EIDO1
SCHEMBL5716712 0.74 ALDH1A1 (0.59) MAPTMAOBALDH1A1KDM4EIDO1
SCHEMBL7797891 0.74 ALDH1A1 (0.56) MAPTMAOBALDH1A1RECQLKDM4E
SCHEMBL14350432 0.74 ALDH1A1 (0.52) MAPTALDH1A1RECQLKDM4EL3MBTL1
SCHEMBL5320880 0.73 L3MBTL1 (0.51) MAPTALDH1A1RECQLKDM4EIDO1
SCHEMBL5321360 0.73 MEN1 (0.57) MAPTALDH1A1IDO1L3MBTL1RAB9A
SCHEMBL5716709 0.73 MEN1 (0.57) MAPTMAOBALDH1A1IDO1TAAR1

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 MAPT 3095/4885MAOB 37/4885ALDH1A1 519/4885

“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.