SCHEMBL12201220

SCHEMBL12201220

COc1ccc(NC(=O)CSC(C)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 3/20 0.61
TP53 P04637 1/20 0.61
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
ALDH1A1 P00352 7/20 0.58
RAB9A P51151 4/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 4/20 0.55

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
SCHEMBL12807724 0.88 MAPT (0.56) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12127439 0.86 ALDH1A1 (0.74) L3MBTL1NPC1TP53ALDH1A1RAB9A
SCHEMBL5999028 0.83 HDAC1 (0.74) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11519481 0.83 MEN1 (0.68) NPC1ALDH1A1RAB9AHTTHPGD
SCHEMBL4885283 0.81 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9313874 0.81 L3MBTL1 (0.76) L3MBTL1NPC1TP53HDAC3HDAC4
SCHEMBL4881186 0.80 HDAC3 (0.76) NPC1TP53HDAC3HDAC4HDAC1
SCHEMBL1289638 0.80 L3MBTL1 (0.69) L3MBTL1NPC1HDAC3HDAC4HDAC1
SCHEMBL1117828 0.80 L3MBTL1 (0.69) L3MBTL1NPC1HDAC3HDAC4HDAC1
SCHEMBL11518945 0.79 GAA (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST L3MBTL1 4513/4885NPC1 4859/4885TP53 626/4885

“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.