SCHEMBL793430

SCHEMBL793430

O=C1c2cc(Cl)c(Cl)cc2CCN1c1cnccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.52
CYP11B1 P15538 4/20 0.52
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
CYP17A1 P05093 6/20 0.37
CYP1A2 P05177 3/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL807908 0.94 CYP11B2 (0.51) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL807799 0.92 CYP11B2 (0.57) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL15471836 0.92 CYP11B2 (0.49) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL14991981 0.87 CYP11B2 (0.60) CYP11B2CYP11B1
SCHEMBL15471852 0.84 CYP11B2 (0.46) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL798005 0.84 CYP11B2 (0.45) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL807790 0.84 CYP11B2 (0.44) CYP11B2CYP11B1
SCHEMBL793423 0.84 PARP1 (0.43) CYP11B2CYP11B1HTR2CHTR2ACYP17A1
SCHEMBL15467631 0.83 CYP11B2 (0.41) CYP11B2CYP11B1HTR2CHTR2ACYP1A2
SCHEMBL794441 0.83 CYP11B2 (0.44) CYP11B2CYP11B1HTR2CHTR2ACYP17A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US claimed
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 18/4885HTR2C 2446/4885

“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.