SCHEMBL2249778

SCHEMBL2249778

COc1ccccc1CNc1ccc2c([N+](=O)[O-])cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 4/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 3/20 0.47
USP2 O75604 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL2253396 0.84 CYP1A2 (0.55) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL2903151 0.81 CYP1A2 (0.52) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL2908880 0.81 ACP1 (0.57) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL2250117 0.80 CYP1A2 (0.51) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL2250736 0.80 ATM (0.56) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL2901691 0.79 CYP1A2 (0.56) MAPTALDH1A1MAPK1KDM4ETP53
SCHEMBL2906915 0.79 CYP1A2 (0.50) MAPTALDH1A1MAPK1KDM4ETP53
SCHEMBL12356700 0.78 ALDH1A1 (0.60) MAPTALDH1A1MAPK1L3MBTL1POLB
SCHEMBL3267478 0.78 MAPT (0.60) MAPTALDH1A1GAAMAPK1TP53
SCHEMBL2246938 0.77 CYP1A2 (0.53) MAPTALDH1A1MAPK1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2262774-A2 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109493-A2 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E MAPT 1280/4885ALDH1A1 1532/4885GAA 1536/4885

“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.