SCHEMBL5657334

SCHEMBL5657334

CCCn1ccnc1/C(Cc1ccc(N)cc1)=N\O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA1 P30542 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL5657337 1.00 TLR8 (0.35) TLR8SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5657763 1.00 TLR8 (0.35) TLR8SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5655500 0.82 TLR8 (0.37) TLR8SMN1; SMN2NPC1RAB9AADORA1
SCHEMBL5658931 0.77 TLR8 (0.35) TLR8SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5658924 0.77 TLR8 (0.35) TLR8SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5656587 0.70 NPC1 (0.43) TLR8SMN1; SMN2NPC1RAB9AADORA1
SCHEMBL28841366 0.68 CNR2 (0.42) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5656313 0.68 MAPT (0.40) TLR8SMN1; SMN2ADORA1ALDH1A1POLB
SCHEMBL5654622 0.67 ESR1 (0.45) TLR8SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5657590 0.67 RAB9A (0.40) TLR8SMN1; SMN2KDM4ENPC1RAB9A

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 4213/4885SMN1; SMN2 1174/4885KDM4E 512/4885

“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.