SCHEMBL4301416

SCHEMBL4301416

C=CCn1c(=O)cnc2ncc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR1 O43613 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TNFRSF1A P19438 3/20 0.38
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 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
SCHEMBL4146040 0.87 KCNH2 (0.40) KCNH2ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL4296849 0.84 KMT2A (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL2686880 0.82 KCNH2 (0.47) KCNH2
SCHEMBL3870367 0.81 NPC1 (0.48) L3MBTL1HCRTR1ATMNPC1RAB9A
SCHEMBL3841716 0.81 NPC1 (0.45) L3MBTL1KCNH2NPC1RAB9AALDH1A1
SCHEMBL3868901 0.79 ALDH1A1 (0.40) HCRTR1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL4294487 0.79 CYP3A4 (0.36) HCRTR1NPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21038063 0.75 CYP1A2 (0.41) KCNH2ALDH1A1HSD17B10HPGD
SCHEMBL12060381 0.74 KCNH2 (0.56) KCNH2
SCHEMBL4141615 0.74 KCNH2 (0.42) KCNH2ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ L3MBTL1 2344/4885KCNH2 2142/4885HCRTR1 4628/4885

“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.