SCHEMBL2010060

SCHEMBL2010060

O=[N+]([O-])c1ncccc1NC[C@@H]1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.41
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
TDO2 P48775 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
SYK P43405 3/20 0.39
AURKB Q96GD4 3/20 0.39
KCNH2 Q12809 2/20 0.39
PTPN11 Q06124 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
METAP2 P50579 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL13834543 0.81 NPC1 (0.49) BRD4ATAD2CYP3A4CYP2C9PRKCQ
SCHEMBL6428 0.80 KAT2B (0.46) RPS6KB1TDO2CYP3A4CYP2C9PRKCQ
SCHEMBL13319008 0.80 KAT2B (0.46) RPS6KB1TDO2CYP3A4CYP2C9PRKCQ
Hydrochloric Acid SCHEMBL13834986 0.80 NPC1 (0.48) BRD4ATAD2CYP3A4CYP2C9PRKCQ
Hydrochloric Acid SCHEMBL11909173 0.79 KAT2B (0.47) RPS6KB1TDO2CYP3A4CYP2C9PRKCQ
SCHEMBL14095192 0.78 CYP1A2 (0.41) BRD4ATAD2CYP2C9KCNH2ALDH1A1
SCHEMBL13834721 0.76 MEN1 (0.50) RPS6KB1BRD4ATAD2TDO2CYP3A4
Hydrochloric Acid SCHEMBL13834520 0.75 MEN1 (0.49) RPS6KB1BRD4ATAD2TDO2CYP3A4
SCHEMBL12760625 0.74 GRIN2B (0.44) CYP3A4CYP2C9ALDH1A1L3MBTL1ELANE
SCHEMBL12760624 0.74 GRIN2B (0.44) CYP3A4CYP2C9ALDH1A1L3MBTL1ELANE

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 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 (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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY RPS6KB1 673/4885BRD4 702/4885ATAD2 2211/4885

“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.