SCHEMBL6750355

SCHEMBL6750355

COCN1c2cc(Cn3ccnc3-c3cccnc3CO)ccc2Sc2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.36
THRB P10828 1/20 0.33
TP53 P04637 3/20 0.31
MAPT P10636 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
WDR5 P61964 1/20 0.31
BRD4 O60885 1/20 0.31
LMNA P02545 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
SCHEMBL6749755 0.90 HDAC6 (0.39) HDAC6THRBTP53MAPTHDAC3
SCHEMBL6749035 0.84 HTT (0.44) HDAC6MAPTALDH1A1HTT
SCHEMBL6745905 0.82 HDAC6 (0.37) HDAC6
SCHEMBL6749064 0.81 HDAC6 (0.41) HDAC6THRBHDAC3HDAC1
SCHEMBL6745797 0.79 HDAC6 (0.41) HDAC6HDAC3HDAC1ALDH1A1HTT
SCHEMBL6749007 0.79 HDAC6 (0.37) HDAC6
SCHEMBL6749078 0.79 HDAC6 (0.37) HDAC6THRBHDAC3HDAC1
SCHEMBL6750359 0.78 TDP1 (0.41) HDAC6MAPTHDAC3HDAC1ALDH1A1
SCHEMBL6749379 0.78 HDAC6 (0.37) HDAC6
SCHEMBL6749757 0.78 HDAC6 (0.41) HDAC6THRBHDAC3HDAC1

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 HDAC6 1953/4885THRB 4064/4885TP53 550/4885

“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.