SCHEMBL12791007

SCHEMBL12791007

CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C)cn34)cs2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
LMNA P02545 8/20 0.46
MAPT P10636 8/20 0.46
GAA P10253 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 5/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALOX12 P18054 3/20 0.46
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL12791301 0.91 PRKD3 (0.42) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12791053 0.89 GAA (0.42) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12790939 0.86 CDK2 (0.60) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12790988 0.86 SYK (0.58) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12791021 0.85 KDM4E (0.44) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12789780 0.82 MAPT (0.58) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12790960 0.82 SYK (0.47) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL13985109 0.82 MAPT (0.41) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12791049 0.81 SYK (0.46) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL12790984 0.81 CACNA1B (0.41) KDM4ELMNAMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US 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-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 KDM4E 333/4885LMNA 1476/4885MAPT 1292/4885

“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.