SCHEMBL5655830

SCHEMBL5655830

Nc1ccc(C(O)c2ccccn2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
CXCR4 P61073 1/20 0.34
PTGS1 P23219 1/20 0.34
RECQL P46063 1/20 0.33
GRM4 Q14833 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL5655595 0.81 GLA (0.38) MAPTPOLBGLAGAATSHR
SCHEMBL5656982 0.81 CNR2 (0.40) MAPTKDM4ETRPV3NPC1TP53
SCHEMBL5657659 0.78 MAPT (0.44) MAPTGAATSHRKDM4EPTGS1
SCHEMBL5655397 0.78 MAPT (0.44) MAPTGAATSHRKDM4ETRPV3
SCHEMBL22406364 0.77 MAPT (0.43) MAPTGAAKDM4ETRPV3CTNNB1
SCHEMBL8616500 0.75 MAPT (0.44) MAPTGAATSHRKDM4EPTGS1
SCHEMBL5655536 0.75 MAPT (0.42) MAPTGAATSHRKDM4ENPC1
SCHEMBL22426343 0.73 TRPV3 (0.46) MAPTPOLBGAAKDM4ETRPV3
SCHEMBL30546700 0.73 TRPV3 (0.46) MAPTPOLBGAAKDM4ETRPV3
SCHEMBL17064838 0.71 SLC6A2 (0.47) MAPTKDM4ERECQLSLC6A2SLC6A4

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 3095/4885POLB 3578/4885GLA 2961/4885

“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.