SCHEMBL793749

SCHEMBL793749

O=C1c2ccsc2CCN1c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 5/20 0.56
HTT P42858 2/20 0.44
GRM5 P41594 1/20 0.44
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HDAC1 Q13547 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL807842 0.80 CYP11B2 (0.55) CYP11B2CYP11B1HTTGRM5EP300
SCHEMBL807456 0.76 MAPT (0.36) CYP11B2CYP11B1MAPT
SCHEMBL22797004 0.74 CYP11B2 (0.54) CYP11B2CYP11B1HTTGRM5EP300
SCHEMBL30836917 0.73 GRM5 (0.55) CYP11B2CYP11B1HTTGRM5EP300
SCHEMBL25299690 0.72 CYP11B2 (0.77) CYP11B2CYP11B1HTTGRM5
SCHEMBL14992383 0.72 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL29438633 0.72 CYP11B2 (0.77) CYP11B2CYP11B1HTTGRM5
SCHEMBL793308 0.72 CYP11B2 (0.81) CYP11B2CYP11B1GRM5
SCHEMBL14991770 0.72 CYP11B2 (0.62) CYP11B2CYP11B1HTTGRM5PDE4A
SCHEMBL31018431 0.71 CYP11B2 (0.52) CYP11B2CYP11B1HTTGRM5PDE4A

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 9 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-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 18/4885HTT 2531/4885

“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.