SCHEMBL5654447

SCHEMBL5654447

CCCn1c(CO)nnc1SC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TLR8 Q9NR97 10/20 0.40
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5656349 0.73 HSD11B1 (0.33)
SCHEMBL11216029 0.71 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL11692474 0.69 SMN1; SMN2 (0.44) SMN1; SMN2TLR8LMNAKMT2AALDH1A1
SCHEMBL9277178 0.68 MAPK13 (0.35) SMN1; SMN2
SCHEMBL11376315 0.64 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2AALDH1A1TSHR
SCHEMBL5657269 0.63 TSHR (0.36) TDP1TSHR
SCHEMBL11212263 0.62 SMN1; SMN2 (0.41) SMN1; SMN2LMNAKMT2AALDH1A1TDP1
SCHEMBL24077904 0.61 ROCK2 (0.48) LMNAALDH1A1TDP1TSHR
SCHEMBL14204101 0.61 SMPD1 (0.34) SMN1; SMN2TLR8LMNAKMT2AALDH1A1
SCHEMBL11337639 0.60 KMT2A (0.44) SMN1; SMN2TLR8LMNAKMT2AALDH1A1

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 SMN1; SMN2 1174/4885TLR8 4213/4885LMNA 753/4885

“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.