SCHEMBL5656229

SCHEMBL5656229

CCCc1nccn1CCSc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
TLR8 Q9NR97 2/20 0.37
KCNH2 Q12809 4/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL5653814 0.81 TLR8 (0.39) KMT2AMEN1GAATLR8NPC1
SCHEMBL5657825 0.74 ALDH1A1 (0.38) KMT2AMEN1GAATLR8NPC1
SCHEMBL5656587 0.74 NPC1 (0.43) KMT2AGAATLR8NPC1RAB9A
SCHEMBL4227889 0.74 ALDH1A1 (0.46) KMT2ATLR8KCNH2TSHRALDH1A1
SCHEMBL4361611 0.71 ALDH1A1 (0.61) KMT2ATLR8KCNH2ALDH1A1POLB
SCHEMBL5657607 0.71 KMT2A (0.41) KMT2AMEN1GAANPC1RAB9A
SCHEMBL24128057 0.70 KCNH2 (0.40) KMT2AMEN1TLR8KCNH2ALDH1A1
SCHEMBL22356840 0.70 TLR8 (0.49) KMT2ATLR8KCNH2TSHRALDH1A1
SCHEMBL5657194 0.70 ADORA2B (0.36) KMT2AMEN1GAANPC1RAB9A
SCHEMBL5655743 0.70 KDM4E (0.47) KMT2AMEN1GAANPC1RAB9A

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 KMT2A 391/4885MEN1 729/4885GAA 2987/4885

“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.