SCHEMBL798060

SCHEMBL798060

COc1cccc2c1C(=O)CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
TOP1 P11387 1/20 0.42
POLL Q9UGP5 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL2047592 0.78 TOP1 (0.47) HTR2AHTR2CHTR2BTOP1POLL
SCHEMBL13027936 0.77 AURKA (0.50) HTR2AHTR2CHTR2BTOP1POLL
SCHEMBL266254 0.77 KDM4E (0.56) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL383534 0.74 PNMT (0.49) PNMT
SCHEMBL23023381 0.74 POLL (0.50) TOP1POLLALDH1A1KDM4EHPGD
SCHEMBL266877 0.74 POLL (0.50) TOP1POLLALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL13739112 0.73 PNMT (0.47) PNMT
SCHEMBL24643279 0.73 IKBKB (0.44) HTR2CHTR2BCA1CA2CA7
SCHEMBL30812435 0.73 IKBKB (0.44) HTR2CHTR2BCA1CA2CA7
SCHEMBL28503130 0.73 IKBKB (0.40) KDM4ECA1CA2CA7CA9

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 4 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-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 HTR2A 3716/4885HTR2C 2446/4885HTR2B 3184/4885

“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.