SCHEMBL793501

SCHEMBL793501

O=[N+]([O-])c1cnccc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.44
HTT P42858 5/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
HIPK2 Q9H2X6 1/20 0.36
CHUK O15111 1/20 0.35
CYP17A1 P05093 1/20 0.35
SLC18A3 Q16572 1/20 0.35
LMNA P02545 1/20 0.35
RPS6KA3 P51812 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL20191065 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL16587796 0.79 MEN1 (0.40) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL325128 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL4899864 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL18931645 0.77 PIM2 (0.42) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL319114 0.76 KMT2A (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8560822 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL319540 0.75 KMT2A (0.45) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL8568179 0.74 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL31319374 0.74 CDK2 (0.40) MEN1KMT2AALDH1A1HTTMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
CN-103649073-B 17 α-hydroxylase/C 17,20-lyase inhibitor NOVARTIS AG (CH) 2016-04-13 CN disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP 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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 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 (2 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-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MEN1 1136/4885KMT2A 845/4885ALDH1A1 73/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MEN1 861/4885KMT2A 660/4885ALDH1A1 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.