SCHEMBL4249461

SCHEMBL4249461

COCCOc1c(C(=O)NCC#Cc2ccc(C(=S)NO)cc2)[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
GAA P10253 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SOST Q9BQB4 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
SCHEMBL4814016 0.92 HDAC1 (0.40) MAPTHPGDLMNAMAPK10HDAC1
SCHEMBL4254266 0.74 HDAC3 (0.54) MAPTSMN1; SMN2KDM4ELMNAHDAC1
SCHEMBL4250951 0.73 SOST (0.54) SMN1; SMN2ALDH1A1LMNAGAAHDAC1
SCHEMBL4252235 0.73 KDM4E (0.49) ALDH1A1HSD17B10KDM4EGAAHDAC1
SCHEMBL4249438 0.72 HDAC3 (0.46) MAPTHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4253254 0.71 HDAC3 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL4250396 0.71 HDAC3 (0.41) HPGDCYP1A2ALDH1A1HSD17B10KDM4E
SCHEMBL5497869 0.71 HDAC2 (0.49) MAPTHPGDSMN1; SMN2KDM4ELMNA
SCHEMBL4251739 0.69 ALOX15 (0.48) MAPTSMN1; SMN2
SCHEMBL4247166 0.69 HDAC3 (0.44) HPGDSMN1; SMN2ALDH1A1LMNAGAA

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 MAPT 2673/4885HPGD 351/4885CYP1A2 2992/4885

“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.