SCHEMBL793729

SCHEMBL793729

O=C1NCCc2cc(Cl)c(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.62
PARP1 P09874 6/20 0.62
F7 P08709 1/20 0.62
F3 P13726 1/20 0.62
KDM4E B2RXH2 1/20 0.56
PARP11 Q9NR21 9/20 0.53
PDPK1 O15530 1/20 0.50
GRM5 P41594 5/20 0.49

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
SCHEMBL30800588 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL15471838 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL21333738 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL30285367 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL14991814 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL24039931 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL19887445 0.85 PARP10 (0.56) PARP10PARP1F7F3KDM4E
SCHEMBL15471844 0.81 PARP10 (0.51) PARP10PARP1F7F3KDM4E
SCHEMBL793760 0.81 PARP10 (0.51) PARP10PARP1F7F3KDM4E
SCHEMBL793777 0.81 PARP10 (0.55) PARP10PARP1F7F3KDM4E

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
CN-109280030-B Benzazaylalkyl aryl piperazine derivative and application thereof in preparing medicines 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PARP10 940/4885PARP1 2549/4885F7 2639/4885

“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.