SCHEMBL807794

SCHEMBL807794

COc1cc2c(cc1OC)C(=O)N(c1cnccc1C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PDE10A Q9Y233 3/20 0.44
PDE3A Q14432 2/20 0.44
PDE7A Q13946 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 4/20 0.42
HPGD P15428 2/20 0.42
S1PR2 O95136 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL794032 0.91 CYP11B2 (0.44) KMT2AMEN1PDE10APDE3APDE7A
SCHEMBL793208 0.85 CYP19A1 (0.44) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL793336 0.85 CYP19A1 (0.45) ALDH1A1CYP11B2CYP11B1SMN1; SMN2CYP19A1
SCHEMBL12467032 0.83 CYP11B2 (0.52) CYP11B2CYP11B1MAPT
SCHEMBL15467046 0.83 CYP11B2 (0.41) HSD17B10HTR2CCYP11B2CYP11B1HTR2A
SCHEMBL15467173 0.83 CYP11B2 (0.52) HTR2CHTR2BCYP11B2CYP11B1HTR2A
SCHEMBL15466773 0.81 CYP11B2 (0.47) ALDH1A1HSD17B10HTR2CCYP11B2CYP11B1
SCHEMBL15471694 0.81 MAPT (0.43) HSD17B10HTR2CHTR2BCYP11B2CYP11B1
SCHEMBL807907 0.81 CYP11B2 (0.43) HTR2CCYP11B2CYP11B1CYP1A2HTR2A
SCHEMBL807995 0.81 CYP11B2 (0.42) CYP11B2CYP11B1MAPTTDP1

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 5 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-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
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 KMT2A 660/4885MEN1 861/4885PDE10A 1888/4885

“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.