SCHEMBL5584019

SCHEMBL5584019

Nc1ccccc1NC(=O)c1ccc(C(S)c2nccc(-c3cccs3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC1 Q13547 15/20 0.50
HDAC2 Q92769 5/20 0.49
HDAC3 O15379 4/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5584418 0.82 HDAC1 (0.68) CYP3A4HDAC1HDAC2HDAC3HDAC4
SCHEMBL210510 0.79 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1063032 0.78 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL210011 0.77 HDAC1 (0.65) CYP1A2CYP3A4CYP2C19HDAC1HDAC2
SCHEMBL1062264 0.74 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3560642 0.74 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1064065 0.72 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3229396 0.72 HDAC1 (0.68) CYP3A4HDAC1HDAC2HDAC3HDAC4
SCHEMBL1060972 0.72 HDAC1 (0.58) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL1064727 0.72 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 CYP1A2 4311/4885CYP3A4 4740/4885CYP2C19 4810/4885

“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.