SCHEMBL5273693

SCHEMBL5273693

O=C1NCn2c3ccccc3c(=O)c3cccc1c32

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.44
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK3 P52333 3/20 0.39
DHFR P00374 1/20 0.39
STAT5A P42229 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL7670693 0.74 SMARCA4 (0.41) KDM4EHPGDHSD17B10DHFR
SCHEMBL8284554 0.69 ALDH1A1 (0.39) KDM4EHPGD
SCHEMBL5275339 0.68 ALDH1A1 (0.36) DHFR
SCHEMBL29636156 0.67 ALDH1A1 (0.50) KDM4EHPGDHSD17B10DHFRSYK
SCHEMBL23898662 0.67 ALDH1A1 (0.50) KDM4EHPGDHSD17B10DHFRSYK
SCHEMBL8362866 0.65 ATM (0.37) PARP1KDM4EHPGDHSD17B10
SCHEMBL16389423 0.64 ALDH1A1 (0.53) KDM4EHPGDHSD17B10DHFR
SCHEMBL29861263 0.64 ALDH1A1 (0.53) KDM4EHPGDHSD17B10DHFR
SCHEMBL6981939 0.64 PIM1 (0.42) PARP1KDM4EHPGDHSD17B10JAK3
SCHEMBL7396812 0.62 RPS6KA3 (0.43) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
WO-2005053609-A2 METHODS OF NAD+-DEPENDENT DEACETYLASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2005-06-16 WO disclosed
US-20040254372-A1 Compounds, derivatives, compositions, preparation and uses EISAI INC. 2004-12-16 US disclosed
WO-2003014121-A9 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARM INC (US) 2004-03-25 WO disclosed
WO-2003014121-A1 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARMACEUTICALS INC. (US) 2003-02-20 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 (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-20040254372-A1 Compounds, derivatives, compositions, preparation and uses PARP1, PARP2, PARP3 PARP1 1/4885CDK5 40/4885CDK5R1 96/4885

“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.