SCHEMBL4512503

SCHEMBL4512503

NC(=O)n1cnc2ncncc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.42
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.30

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
SCHEMBL4512499 0.82 HDAC6 (0.44) HDAC6HDAC1LTA4H
Hydrochloric Acid SCHEMBL6150951 0.81 HDAC6 (0.43) HDAC6HDAC1LTA4H
SCHEMBL2182600 0.78 HDAC6 (0.42) HDAC6HDAC1LTA4H
SCHEMBL27626433 0.78 HDAC6 (0.45) HDAC6HDAC1LTA4H
SCHEMBL5360602 0.77 HDAC6 (0.41) HDAC6HDAC1LTA4H
SCHEMBL7172604 0.76 HDAC6 (0.43) HDAC6HDAC1LTA4H
SCHEMBL27626492 0.74 HDAC6 (0.39) HDAC6HDAC1LTA4H
Pyrrole SCHEMBL27626493 0.74 HDAC6 (0.40) HDAC6HDAC1LTA4H
SCHEMBL19924632 0.72 ASAH1 (0.45) HDAC6HDAC1
SCHEMBL3646046 0.71 FDPS (0.44) HDAC6HDAC1LTA4HPARP1

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
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN claimed
CN-109715214-A Combination therapy of a TLR7 agonist and an HBV capsid assembly inhibitor 豪夫迈·罗氏有限公司 2019-05-03 CN disclosed
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
CN-101405408-A Method for enhancing lymphatic function GEN HOSPITAL CORP (US) 2009-04-08 CN disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HDAC6 1082/4885HDAC1 1208/4885LTA4H 3865/4885

“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.