SCHEMBL6509942

SCHEMBL6509942

CN(C)c1cccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.70
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
MAPK14 Q16539 4/20 0.50
BRAF P15056 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAF1 P04049 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK11 Q15759 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6514838 0.87 HDAC1 (0.71) HDAC1MAPTTP53KDM4EALDH1A1
SCHEMBL6508495 0.85 HDAC1 (0.75) HDAC1MAPTTP53HDAC6RAB9A
SCHEMBL6515331 0.83 HDAC1 (0.77) HDAC1KDM4EHDAC6
SCHEMBL6510390 0.83 HDAC1 (0.77) HDAC1TP53ALDH1A1HDAC6RAB9A
SCHEMBL1886609 0.83 HDAC1 (1.00) HDAC1HDAC6
SCHEMBL6508510 0.82 HDAC1 (0.70) HDAC1MAPTTP53KDM4EALDH1A1
SCHEMBL6510496 0.81 HDAC1 (0.73) HDAC1TP53HDAC6
SCHEMBL15482247 0.79 HDAC6 (0.63) HDAC1MAPTTP53MAPK14BRAF
SCHEMBL1889481 0.79 HDAC1 (0.84) HDAC1KDM4ETDP1HDAC6RAB9A
SCHEMBL6508547 0.79 HDAC1 (0.76) HDAC1HDAC6RAB9A

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 1/4885MAPT 2607/4885TP53 1887/4885

“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.