SCHEMBL793760

SCHEMBL793760

COc1cc2c(cc1Cl)C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.51
PARP1 P09874 4/20 0.51
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 4/20 0.48
PARP11 Q9NR21 3/20 0.47
GRM5 P41594 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MAP4K1 Q92918 1/20 0.45
MAPK10 P53779 3/20 0.44
MAPK14 Q16539 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL4715588 0.87 PARP10 (0.53) PARP10PARP1F7F3HTR2A
SCHEMBL30882012 0.87 PARP10 (0.53) PARP10PARP1F7F3HTR2A
SCHEMBL15813926 0.85 INSR (0.44) PARP10PARP1F7F3HTR2A
SCHEMBL24040090 0.83 PARP10 (0.49) PARP10PARP1F7F3HTR2A
SCHEMBL20232210 0.83 PARP10 (0.53) PARP10PARP1F7F3HTR2A
SCHEMBL29990474 0.83 PARP10 (0.49) PARP10PARP1F7F3HTR2A
SCHEMBL793729 0.81 PARP10 (0.62) PARP10PARP1F7F3PARP11
SCHEMBL3779809 0.79 HTR2A (0.58) PARP10PARP1F7F3HTR2A
SCHEMBL30870989 0.79 PARP10 (0.49) PARP10PARP1F7F3PARP11
SCHEMBL27403164 0.79 MAP4K1 (0.46) PARP10PARP1F7F3HTR2A

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-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-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.