SCHEMBL5658838

SCHEMBL5658838

CCCc1nccn1CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.39
PSMD10 O75832 1/20 0.39
CYP24A1 Q07973 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31281892 0.88 TSHR (0.40) TSHRALDH1A1PSMD10CYP24A1KDM4E
SCHEMBL8211578 0.84 ALDH1A1 (0.44) TSHRALDH1A1PSMD10CYP24A1KDM4E
SCHEMBL28634383 0.79 CA12 (0.49) CYP24A1KDM4ECA12CA1CA9
SCHEMBL29859619 0.78 ALDH1A1 (0.46) TSHRALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL29860030 0.75 ALDH1A1 (0.45) TSHRALDH1A1KDM4EKCNH2SMN1; SMN2
SCHEMBL6647468 0.74 CA1 (0.41) ALDH1A1PSMD10CYP24A1KDM4ECA12
SCHEMBL24128057 0.73 KCNH2 (0.40) ALDH1A1KCNH2SMN1; SMN2
SCHEMBL27794804 0.73 CA12 (0.46) ALDH1A1KDM4ECA12CA1CA9
SCHEMBL5172102 0.73 KDM4E (0.40) TSHRALDH1A1KDM4ETDP1
SCHEMBL156710 0.73 GAA (0.46) ALDH1A1CA12CA1CA9SMN1; SMN2

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 2872/4885ALDH1A1 519/4885PSMD10 2408/4885

“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.