SCHEMBL5654464

SCHEMBL5654464

Cc1nc2ccccn2c1CSc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
DPP4 P27487 1/20 0.42
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL16743428 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL24348727 0.75 DPP4 (0.63) ALDH1A1NPC1KMT2AKDM4EGAA
SCHEMBL20138279 0.75 KDM4E (0.51) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL859623 0.75 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL844692 0.73 HSD17B10 (0.42) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL2759541 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTNPC1KMT2A
SCHEMBL5655890 0.72 GGPS1 (0.46) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL13220757 0.72 KMT2A (0.51) ALDH1A1NPC1KMT2AKDM4EGAA
SCHEMBL21995802 0.72 KMT2A (0.47) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL859998 0.71 KDM4E (0.65) ALDH1A1SMN1; SMN2HTTNPC1KMT2A

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 ALDH1A1 519/4885SMN1; SMN2 1174/4885HTT 3606/4885

“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.