SCHEMBL793336

SCHEMBL793336

COc1ccc2c(c1)CCN(c1cnccc1C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.45
MIF P14174 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP11B2 P19099 10/20 0.44
CYP11B1 P15538 5/20 0.44
SRD5A1 P18405 1/20 0.43
AOC3 Q16853 2/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL793208 0.91 CYP19A1 (0.44) CYP19A1ALDH1A1SMN1; SMN2CYP11B2CYP11B1
SCHEMBL792904 0.88 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1AOC3
SCHEMBL15466773 0.85 CYP11B2 (0.47) ALDH1A1MAPTCYP11B2CYP11B1SRD5A1
SCHEMBL807794 0.85 KMT2A (0.51) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B2
SCHEMBL793824 0.84 CYP11B2 (0.46) CYP19A1CYP11B2CYP11B1
SCHEMBL793106 0.83 CYP11B2 (0.48) CYP19A1MIFCYP11B2CYP11B1
SCHEMBL22713707 0.83 CYP26A1 (0.50) MIFALDH1A1MAPTSRD5A1AOC3
SCHEMBL807995 0.82 CYP11B2 (0.42) MAPTCYP11B2CYP11B1SRD5A1
SCHEMBL25308280 0.82 CYP19A1 (0.52) CYP19A1MIFALDH1A1LMNAMAPT
SCHEMBL794032 0.81 CYP11B2 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2CYP11B2

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 12 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
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP claimed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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 CYP19A1 19/4885MIF 4231/4885ALDH1A1 68/4885

“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.