SCHEMBL5657054

SCHEMBL5657054

Nc1ccc(SCc2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.49
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FDPS P14324 3/20 0.42
OPRK1 P41145 1/20 0.40
RAB9A P51151 3/20 0.40
CHRNA7 P36544 1/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
DAO P14920 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CACNA1H O95180 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6195410 0.83 POLB (0.50) CCR2GLAGAARAB9ANPC1
SCHEMBL5656661 0.81 HPGD (0.45) KDM4EALDH1A1HPGDRAB9ACHRNA7
SCHEMBL5656107 0.80 CCR2 (0.44) CCR2KDM4EALDH1A1RAB9ACHRNA7
SCHEMBL5654150 0.79 MAPT (0.53) CCR2KDM4EGAAALDH1A1RAB9A
SCHEMBL5656082 0.76 GAA (0.47) KDM4EGAAALDH1A1NPSR1RAB9A
SCHEMBL5654451 0.72 RAB9A (0.50) KDM4EGLAALDH1A1HPGDRAB9A
SCHEMBL1927394 0.69 GLA (0.58) GLAGAAALDH1A1NPC1HTT
SCHEMBL5659002 0.69 RAB9A (0.53) KDM4EGAARAB9ACHRNA7NPC1
SCHEMBL6511773 0.69 CA12 (0.50) CCR2GAAALDH1A1RAB9ANPC1
SCHEMBL709679 0.68 GAA (0.59) KDM4EGLAGAAALDH1A1HPGD

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 CCR2 1368/4885KDM4E 512/4885GLA 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.