SCHEMBL6457145

SCHEMBL6457145

COc1ccc(ONC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
RAB9A P51151 2/20 0.73
ALDH1A1 P00352 2/20 0.73
NPC1 O15118 1/20 0.73
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SETD7 Q8WTS6 1/20 0.56
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.55
ALOX5 P09917 1/20 0.55
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL9423144 0.84 MAPT (1.00) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11502608 0.83 KMT2A (0.63) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7743287 0.81 MAPT (0.68) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12350151 0.81 CES2 (0.71) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL31067505 0.81 MAPT (0.67) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4470153 0.81 MAPT (0.67) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6651205 0.80 ALDH1A1 (0.62) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1578309 0.79 MEN1 (0.72) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4254145 0.78 MEN1 (0.80) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4251085 0.78 MAPT (0.70) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPT 517/4885RAB9A 1648/4885ALDH1A1 2036/4885

“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.