SCHEMBL5657269

SCHEMBL5657269

CCCCn1c(S)nnc1CO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RGS4 P49798 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 1/20 0.30
PGR P06401 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14204101 0.93 SMPD1 (0.34) TSHRPOLB
SCHEMBL5656349 0.89 HSD11B1 (0.33) HSD11B1
SCHEMBL11380910 0.85 TSHR (0.38) TSHRRGS4HSD11B1TDP1L3MBTL1
SCHEMBL11381038 0.81 ALDH1A1 (0.38) TSHRRGS4HSD11B1TDP1L3MBTL1
SCHEMBL5655726 0.80 KDM4E (0.31)
SCHEMBL8173050 0.80 TSHR (0.35) TSHRHSD11B1
SCHEMBL19538769 0.79 MEN1 (0.36) HSD11B1
SCHEMBL19538754 0.78 MAPT (0.34) HSD11B1
SCHEMBL11370334 0.75 HSD11B1 (0.46) TSHRRGS4POLBHSD11B1TDP1
SCHEMBL16774865 0.74 TLR8 (0.39) TSHRPOLB

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 TSHR 2872/4885RGS4 3032/4885POLB 3578/4885

“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.