SCHEMBL917196

SCHEMBL917196

O=[N+]([O-])c1ccc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
CFTR P13569 1/20 0.51
CDC7 O00311 1/20 0.46
HTR7 P34969 1/20 0.46
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR3 Q99500 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL31661395 0.90 CFTR (0.51) BRD4CFTRPOLBL3MBTL1CYP1A2
SCHEMBL3509099 0.90 CFTR (0.51) BRD4CFTRPOLBL3MBTL1CYP1A2
SCHEMBL7804893 0.84 HTR7 (0.54) BRD4CFTRCDC7HTR7CYP1A2
SCHEMBL7807013 0.82 HTR7 (0.43) BRD4CFTRCDC7HTR7L3MBTL1
SCHEMBL1122365 0.80 NPC1 (0.54) BRD4HTR7ALDH1A1MAPTPKM
Ethoxycarbonyl Group SCHEMBL27751175 0.80 CFTR (0.43) BRD4CFTRPOLBALDH1A1SLC2A1
SCHEMBL12359736 0.79 HTR7 (0.47) CDC7HTR7CYP1A2CYP3A4ALDH1A1
SCHEMBL7806978 0.78 KDM4E (0.47) CFTRCDC7HTR7L3MBTL1CYP1A2
SCHEMBL916444 0.78 BRD4 (0.56) BRD4BRD2BRD3L3MBTL1CYP1A2
SCHEMBL915161 0.77 HTR6 (0.46) CDC7HTR7ALDH1A1KDM4EMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1956954-B Novel androgens ORGANON NV 2011-05-04 CN disclosed
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
CN-1956954-A Novel androgens ORGANON NV (NL) 2007-05-02 CN disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG BRD4 867/4885CFTR 1431/4885CDC7 3517/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885CFTR 1249/4885CDC7 1460/4885

“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.