SCHEMBL6508477

SCHEMBL6508477

COc1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.71
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
TP53 P04637 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALOX15 P16050 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL6508510 0.87 HDAC1 (0.70) HDAC1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6511964 0.86 HDAC1 (0.76) HDAC1NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL22718544 0.85 HDAC1 (0.74) HDAC1HDAC6KMT2AMEN1
SCHEMBL6509553 0.85 HDAC1 (0.78) HDAC1RAB9ATP53HDAC6KMT2A
SCHEMBL1886036 0.84 HDAC1 (0.84) HDAC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1886609 0.83 HDAC1 (1.00) HDAC1HDAC6
SCHEMBL6509337 0.83 HDAC1 (0.71) HDAC1NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL6514838 0.83 HDAC1 (0.71) HDAC1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6514967 0.82 HDAC1 (0.74) HDAC1HDAC6
SCHEMBL1894177 0.81 HDAC1 (0.85) HDAC1HDAC6

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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885NPC1 1868/4885RAB9A 3382/4885

“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.