SCHEMBL798315

SCHEMBL798315

O=C1c2cc([N+](=O)[O-])c(F)cc2CCN1c1cnccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 3/20 0.41
SIRT6 Q8N6T7 1/20 0.34
OPRM1 P35372 2/20 0.34
KCNH2 Q12809 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
WDR5 P61964 1/20 0.33
CYP19A1 P11511 1/20 0.32
ROCK1 Q13464 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.31

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
SCHEMBL15466927 0.89 SIRT6 (0.38) CYP11B2CYP11B1SIRT6OPRM1KCNH2
SCHEMBL793725 0.86 CYP11B2 (0.43) CYP11B2CYP11B1MAPTHTTPOLB
SCHEMBL798005 0.84 CYP11B2 (0.45) CYP11B2CYP11B1OPRM1KCNH2SIGMAR1
SCHEMBL794441 0.83 CYP11B2 (0.44) CYP11B2CYP11B1OPRM1KCNH2SIGMAR1
SCHEMBL807799 0.83 CYP11B2 (0.57) CYP11B2CYP11B1OPRM1KCNH2SIGMAR1
SCHEMBL10286388 0.83 CYP17A1 (0.45) CYP11B2CYP11B1
SCHEMBL807790 0.80 CYP11B2 (0.44) CYP11B2CYP11B1CYP19A1ROCK1
SCHEMBL793430 0.80 CYP11B2 (0.52) CYP11B2CYP11B1OPRM1SIGMAR1KMT2A
SCHEMBL807908 0.79 CYP11B2 (0.51) CYP11B2CYP11B1KMT2AHTR2C
SCHEMBL793423 0.78 PARP1 (0.43) CYP11B2CYP11B1MAPTCYP19A1ALDH1A1

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
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

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 18/4885SIRT6 2324/4885

“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.