SCHEMBL793030

SCHEMBL793030

Cc1ccncc1-n1ccc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 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
SCHEMBL15471706 0.83 CYP19A1 (0.39) ALDH1A1MAPT
SCHEMBL794257 0.81 MAPT (0.41) MAPT
SCHEMBL807970 0.78 PDE10A (0.39) CDC7ALDH1A1
SCHEMBL4385576 0.75 GAA (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6656880 0.73 CHRNB2 (0.43) SLC6A2ALDH1A1MAPTTDP1
SCHEMBL29613208 0.71 L3MBTL1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL16455706 0.71 L3MBTL1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL807868 0.71 MAPK14 (0.45) MEN1KMT2AMAPTPOLB
SCHEMBL9041848 0.71 MEN1 (0.49) MEN1KMT2AL3MBTL1MAPTPOLB
SCHEMBL6661929 0.70 MET (0.42) MEN1KMT2AALDH1A1MAPTTDP1

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 CDC7 1205/4885MEN1 861/4885KMT2A 660/4885

“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.