SCHEMBL793249

SCHEMBL793249

O=C1NCCc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.61
PARP1 P09874 6/20 0.61
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
CES1 P23141 1/20 0.50
PARP11 Q9NR21 6/20 0.47
PDPK1 O15530 1/20 0.47
KDM4E B2RXH2 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DRD2 P14416 2/20 0.40
HTR2C P28335 1/20 0.40
BACE1 P56817 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL13827940 0.89 PARP10 (0.56) PARP10PARP1F7F3PARP11
SCHEMBL16346860 0.88 PARP10 (0.54) PARP10PARP1CES1PARP11PDPK1
SCHEMBL27148562 0.84 CES1 (0.53) PARP10PARP1CES1KDM4ELRRK2
SCHEMBL18305057 0.81 PARP10 (0.57) PARP10PARP1F7F3PARP11
SCHEMBL246378 0.80 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL29438649 0.80 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL23160144 0.79 CES1 (0.48) PARP10PARP1CES1PARP11PDPK1
SCHEMBL30947279 0.79 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL29267558 0.79 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL8126748 0.78 PBRM1 (0.49) CES1LRRK2BACE1

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 8 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
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
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.