SCHEMBL7011365

SCHEMBL7011365

CC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C2=C(CCNC2=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 6/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 4/20 0.48
GLA P06280 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
NR1I2 O75469 1/20 0.45
NR3C1 P04150 1/20 0.45
ABCB1 P08183 1/20 0.45
TBXA2R P21731 1/20 0.45
AGTR1 P30556 1/20 0.45
CCKBR P32239 1/20 0.45
PTGS2 P35354 1/20 0.45
PDE4D Q08499 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL8878451 0.85 KDM4E (0.65) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7580735 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7097522 0.80 ABCC9 (0.57) GAAKMT2AMAPTADORA3CACNA1F
SCHEMBL7099480 0.78 ABCC9 (0.52) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7583051 0.78 ABCC9 (0.52) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL7102992 0.78 KDM4E (0.48) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL9434138 0.78 MAPT (0.46) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL9434141 0.77 KDM4E (0.54) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL6313447 0.76 MAPT (0.52) ALDH1A1GAAKMT2AMAPTHTT
SCHEMBL7101772 0.76 ABCC9 (0.49) ALDH1A1KDM4EGAAHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP claimed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US claimed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 WO claimed
EP-1307453-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-05-07 EP disclosed
US-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 US disclosed
WO-2002010164-A2 DIHYDRONAPHTHYRIDINE- AND DIHYDROPYRROLOPYRIDINE-DERIVATED COMPOUNDS AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-02-07 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 ALDH1A1 555/4885KDM4E 1292/4885GAA 1909/4885

“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.