SCHEMBL2964350

SCHEMBL2964350

[c]1cccc(CN2CCSCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
CYP2A13 Q16696 1/20 0.44
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL845155 0.84 HRH3 (0.52) KDM4EALDH1A1L3MBTL1SIGMAR1
SCHEMBL23113743 0.84 HRH3 (0.47) KDM4EALDH1A1SIGMAR1
SCHEMBL27729397 0.82 HRH3 (0.50) KDM4EALDH1A1L3MBTL1SIGMAR1
SCHEMBL161004 0.82 HRH3 (0.55) KDM4EALDH1A1POLBSIGMAR1
SCHEMBL27729240 0.81 HRH3 (0.53) KDM4EALDH1A1POLBSIGMAR1
SCHEMBL2476102 0.79 SIGMAR1 (0.62) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL27826705 0.79 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL62595 0.79 HRH3 (0.53) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL61472 0.79 MC4R (0.62) KDM4EALDH1A1POLBSIGMAR1
SCHEMBL2971636 0.78 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 MEN1 3925/4885KMT2A 82/4885KDM4E 691/4885

“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.