SCHEMBL5655050

SCHEMBL5655050

O=C(c1ccccn1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
P2RX7 Q99572 1/20 0.47
HSD17B14 Q9BPX1 1/20 0.46
ATM Q13315 1/20 0.43
RBP4 P02753 1/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 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
Hydrochloric Acid SCHEMBL10668868 0.82 CTNNB1 (0.67) GRM4CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL5657844 0.81 PTGS1 (0.46) KMT2AMEN1P2RX7ATMRAB9A
SCHEMBL28335316 0.79 HSD17B14 (0.48) GRM4CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL28337455 0.79 GRM4 (0.60) GRM4KMT2AALDH1A1MEN1HSD17B14
SCHEMBL28462767 0.79 KMT2A (0.55) KMT2AP2RX7ATMCES2CES1
SCHEMBL6122369 0.78 KEAP1 (0.53) GRM4CTNNB1WNT3AKMT2AALDH1A1
SCHEMBL25902691 0.77 KMT2A (0.54) KMT2AALDH1A1MEN1ATML3MBTL1
SCHEMBL27489099 0.77 MEN1 (0.52) GRM4KMT2AALDH1A1MEN1RAB9A
SCHEMBL25902696 0.75 CDC25B (0.47) KMT2AALDH1A1MEN1ATMALOX15
SCHEMBL22406336 0.74 KMT2A (0.53) GRM4CTNNB1WNT3AKMT2AALDH1A1

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 GRM4 1149/4885CTNNB1 240/4885WNT3A 180/4885

“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.