SCHEMBL4891172

SCHEMBL4891172

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 2/20 0.57
PTPN1 P18031 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TTR P02766 1/20 0.53
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
SIRT3 Q9NTG7 3/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
KDM5A P29375 2/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM4A O75164 1/20 0.46
ING2 Q9H160 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL29464057 0.90 EYA3 (0.65) EYA3PTPN1TTRNR1H4HTT
SCHEMBL15362406 0.90 EYA3 (0.53) EYA3PTPN1NPC1RAB9ATTR
SCHEMBL282873 0.90 EYA3 (0.65) EYA3PTPN1TTRNR1H4HTT
SCHEMBL12964086 0.89 EYA3 (0.52) EYA3PTPN1NPC1RAB9ATTR
SCHEMBL446008 0.89 EYA3 (0.52) EYA3PTPN1NPC1RAB9ATTR
SCHEMBL4274820 0.89 CA12 (0.48) EYA3PTPN1NPC1RAB9ATTR
SCHEMBL4567254 0.87 KDM5A (0.58) KDM5AKDM7A
SCHEMBL283212 0.87 MAPK1 (0.60) EYA3PTPN1NR1H4HTTKDM5A
SCHEMBL4279914 0.87 EYA3 (0.50) EYA3PTPN1NPC1RAB9ATTR
SCHEMBL12643780 0.86 MAPK1 (0.51) EYA3PTPN1NR1H4SIRT3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080154049-A1 for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. SHASUN PHARMA SOLUTIONS LIMITED (GB) 2008-06-26 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-20080154049-A1 for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. AADAC, APEH, DDC EYA3 4714/4885PTPN1 3253/4885NPC1 1542/4885

“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.