SCHEMBL793725

SCHEMBL793725

Cc1ccncc1N1CCc2cc(F)c([N+](=O)[O-])cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.43
CYP11B1 P15538 8/20 0.43
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
WDR5 P61964 1/20 0.35
CYP17A1 P05093 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL15466127 0.90 CYP11B2 (0.40) CYP11B2CYP11B1MAPTHTTPOLB
SCHEMBL12467032 0.87 CYP11B2 (0.52) CYP11B2CYP11B1MAPTCYP17A1P2RX7
SCHEMBL798315 0.86 CYP11B2 (0.41) CYP11B2CYP11B1MAPTHTTPOLB
SCHEMBL10286388 0.85 CYP17A1 (0.45) CYP11B2CYP11B1CYP17A1
SCHEMBL794131 0.84 CYP11B2 (0.47) CYP11B2CYP11B1MAPTCYP17A1P2RX7
SCHEMBL798816 0.83 ROCK1 (0.44) CYP11B2CYP11B1
SCHEMBL807910 0.83 CYP11B2 (0.59) CYP11B2CYP11B1CYP17A1P2RX7
SCHEMBL15466927 0.81 SIRT6 (0.38) CYP11B2CYP11B1MAPTHTTLMNA
SCHEMBL793824 0.80 CYP11B2 (0.46) CYP11B2CYP11B1P2RX7
SCHEMBL15467046 0.78 CYP11B2 (0.41) CYP11B2CYP11B1MAPT

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 9 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-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
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 CYP11B2 30/4885CYP11B1 18/4885MAPT 3507/4885

“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.