SCHEMBL5653814

SCHEMBL5653814

CCCn1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.39
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
POLB P06746 1/20 0.34
SLC29A1 Q99808 1/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5657825 0.88 ALDH1A1 (0.38) TLR8NPC1KMT2AALDH1A1RAB9A
SCHEMBL5659406 0.82 TLR8 (0.36) TLR8KMT2AALDH1A1ADORA2AADORA1
SCHEMBL5657607 0.82 KMT2A (0.41) NPC1KMT2AALDH1A1RAB9AMEN1
SCHEMBL5656229 0.81 KMT2A (0.39) TLR8NPC1KMT2AALDH1A1RAB9A
SCHEMBL5657194 0.80 ADORA2B (0.36) NPC1KMT2AALDH1A1RAB9AMEN1
SCHEMBL3460377 0.79 TNF (0.48)
SCHEMBL5657417 0.78 ESR1 (0.38) TLR8KMT2AALDH1A1MEN1GAA
SCHEMBL5657420 0.78 CCNE1 (0.38) TLR8NPC1KMT2AALDH1A1RAB9A
SCHEMBL6103303 0.77 NPC1 (0.36) TLR8NPC1KMT2AALDH1A1RAB9A
SCHEMBL5656587 0.77 NPC1 (0.43) TLR8NPC1KMT2AALDH1A1RAB9A

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 TLR8 4213/4885NPC1 2059/4885KMT2A 391/4885

“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.