SCHEMBL6749210

SCHEMBL6749210

COCN1c2cc(CNc3ccc(OCC(=O)O)nc3)ccc2Sc2nccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.34
CXCR1 P25024 4/20 0.32
CXCR2 P25025 4/20 0.32
P4HTM Q9NXG6 1/20 0.31
FFAR1 O14842 3/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7147790 0.87 HDAC6 (0.34) HDAC6HDAC1
SCHEMBL6749494 0.85 HDAC6 (0.35) HDAC6HDAC1KDM4ETP53NPC1
SCHEMBL6751864 0.83 HDAC6 (0.34) HDAC6
SCHEMBL6749177 0.82 RAB9A (0.43) HDAC6HDAC1KDM4ELMNAALDH1A1
SCHEMBL6745730 0.80 HDAC6 (0.43) HDAC6KDM4ETSHRALDH1A1GAA
SCHEMBL6745468 0.79 HDAC6 (0.43) HDAC6HDAC1KDM4EALDH1A1MAPT
SCHEMBL6750151 0.77 HDAC6 (0.40) HDAC6
SCHEMBL6749176 0.77 LMNA (0.47) HDAC6KDM4ELMNAPOLBTSHR
SCHEMBL6749091 0.77 HDAC6 (0.43) HDAC6HDAC1LMNAPOLBTP53
SCHEMBL6747454 0.77 HDAC6 (0.43) HDAC6HDAC1LMNAALDH1A1GAA

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 1953/4885HDAC1 1667/4885CXCR1 358/4885

“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.