SCHEMBL213325

SCHEMBL213325

CSc1nc(NCc2ccc(C(=O)O)cc2)cc(-c2cccnc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.71
PTGDR Q13258 1/20 0.52
VCP P55072 4/20 0.50
CYP3A4 P08684 5/20 0.49
CLK4 Q9HAZ1 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C9 P11712 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CYP2C19 P33261 2/20 0.45
USP2 O75604 1/20 0.45
PPARG P37231 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
SCHEMBL210054 0.83 HDAC1 (1.00) HDAC1CYP3A4HDAC3NCOR1HDAC2
SCHEMBL14917848 0.78 HDAC1 (0.61) HDAC1HDAC8HDAC6
SCHEMBL18808254 0.77 HDAC1 (0.72) HDAC1VCPCYP3A4CLK4CYP1A2
SCHEMBL5742820 0.77 HDAC1 (0.65) HDAC1PTGDRVCPCYP3A4CLK4
SCHEMBL1067828 0.74 HDAC3 (0.79) HDAC1VCPCYP3A4CLK4CYP1A2
SCHEMBL211074 0.73 ALDH1A1 (0.78) HDAC1CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL2239929 0.71 CYP3A4 (0.65) VCPCYP3A4CLK4CYP1A2CYP2D6
SCHEMBL14801537 0.71 HCAR3 (0.43) HDAC1PPARG
SCHEMBL11082171 0.70 RAB9A (0.63) HDAC1ALDH1A1HSD17B10HDAC8HDAC6
SCHEMBL2239081 0.70 CLK4 (0.54) HDAC1VCPCYP3A4CLK4CYP1A2

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 11 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-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-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
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
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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 (2 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 HDAC1 1/4885PTGDR 4719/4885VCP 3412/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885PTGDR 4483/4885VCP 3324/4885

“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.