SCHEMBL2733017

SCHEMBL2733017

COC(=O)c1ccc(CNc2ccc3nc(SCc4ccc(C(=O)OC)cc4)sc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
MAPT P10636 11/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.56
HDAC1 Q13547 2/20 0.56
TP53 P04637 3/20 0.55
PKM P14618 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 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
SCHEMBL1065942 0.90 HDAC1 (0.70) CYP1A2MAPTPOLBTHRBHDAC1
SCHEMBL14439016 0.85 CYP1A2 (0.62) CYP1A2MAPTPOLBTHRBTP53
SCHEMBL1060971 0.84 CYP1A2 (0.67) CYP1A2MAPTPOLBTP53LMNA
SCHEMBL209386 0.83 MAPT (0.62) CYP1A2MAPTPOLBTHRBTP53
SCHEMBL1064126 0.82 HDAC1 (0.71) CYP1A2MAPTPOLBTHRBHDAC1
SCHEMBL210097 0.77 CYP1A2 (0.53) CYP1A2MAPTPOLBTHRBTP53
SCHEMBL210098 0.77 CYP1A2 (0.53) CYP1A2MAPTPOLBTHRBTP53
SCHEMBL2732646 0.77 CYP1A2 (0.53) CYP1A2MAPTPOLBTP53LMNA
SCHEMBL210846 0.76 HDAC1 (0.61) MAPTPOLBTHRBHDAC1TP53
SCHEMBL211621 0.73 MAPT (0.67) MAPTPOLBTHRBTP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CYP1A2 4230/4885MAPT 3612/4885POLB 450/4885

“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.