SCHEMBL6750185

SCHEMBL6750185

COCN1c2cc(C(O)c3ccncc3)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LTA4H P09960 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL6745656 0.88 HDAC6 (0.36) HDAC6
SCHEMBL6747195 0.88 CYP17A1 (0.38) CYP17A1CYP3A4CYP11B1HDAC6
SCHEMBL6750490 0.87 HDAC6 (0.35) HDAC6
SCHEMBL6745687 0.86 HDAC6 (0.32) HDAC6
SCHEMBL6747420 0.86 HDAC6 (0.33) HDAC6
SCHEMBL6747746 0.85 CYP3A4 (0.35) CYP3A4HDAC6
SCHEMBL6747421 0.83 HDAC6 (0.30) HDAC6
SCHEMBL6749018 0.82 HDAC6 (0.34) HDAC6
SCHEMBL6750211 0.81 HDAC6 (0.36) HDAC6
SCHEMBL6749584 0.81 HDAC6 (0.31) HDAC6

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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 CYP17A1 243/4885CYP3A4 35/4885CYP19A1 193/4885

“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.