SCHEMBL794032

SCHEMBL794032

COc1cc2c(cc1Cl)C(=O)N(c1cnccc1C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.44
CYP11B1 P15538 5/20 0.44
HTR2C P28335 5/20 0.42
CYP1A2 P05177 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2B P41595 3/20 0.39
MAPK10 P53779 4/20 0.38
HTR2A P28223 3/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL807794 0.91 KMT2A (0.51) CYP11B2CYP11B1HTR2CCYP1A2MEN1
SCHEMBL15467173 0.89 CYP11B2 (0.52) CYP11B2CYP11B1HTR2CHTR2BHTR2A
SCHEMBL793309 0.86 CYP17A1 (0.49) CYP11B2CYP11B1
SCHEMBL793750 0.84 CYP11B2 (0.46) CYP11B2CYP11B1HTR2CHTR2BHTR2A
SCHEMBL807910 0.84 CYP11B2 (0.59) CYP11B2CYP11B1HTR2CHTR2BHTR2A
SCHEMBL798145 0.84 CYP11B2 (0.41) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL15471852 0.82 CYP11B2 (0.46) CYP11B2CYP11B1HTR2CCYP1A2MEN1
SCHEMBL798105 0.82 CYP11B2 (0.43) CYP11B2CYP11B1HTR2CCYP1A2HTR2B
SCHEMBL15471847 0.82 CYP11B2 (0.43) CYP11B2CYP11B1HTR2CHTR2BHTR2A
SCHEMBL793336 0.81 CYP19A1 (0.45) CYP11B2CYP11B1ALDH1A1LMNAMAPT

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-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-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.