SCHEMBL6745556

SCHEMBL6745556

COCN1c2cc(CNCc3ccc(S(N)(=O)=O)cc3)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.41
CA2 P00918 15/20 0.41
CA9 Q16790 10/20 0.38
CA12 O43570 7/20 0.38
CA4 P22748 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6749325 0.86 CA1 (0.35) CA1CA2CA9CA12CA4
SCHEMBL6749341 0.82 HDAC6 (0.39) HDAC6
SCHEMBL6747458 0.80 HDAC6 (0.40) HDAC6MEN1GAAKMT2ASMN1; SMN2
SCHEMBL6747294 0.79 HDAC6 (0.39) HDAC6
SCHEMBL6745468 0.79 HDAC6 (0.43) HDAC6KMT2A
SCHEMBL6745492 0.79 HDAC6 (0.40) HDAC6
SCHEMBL7145315 0.78 HDAC6 (0.39) HDAC6
SCHEMBL6747276 0.77 HDAC6 (0.42) CA2HDAC6
SCHEMBL6749072 0.77 HDAC6 (0.38) HDAC6
SCHEMBL6749091 0.77 HDAC6 (0.43) HDAC6SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CA1 2991/4885CA2 2670/4885CA9 3041/4885

“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.