SCHEMBL422204

SCHEMBL422204

CCCCc1oc2ccc([N+](=O)O)cc2c1C(=O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
CYP2C9 P11712 1/20 0.53
PTPN1 P18031 1/20 0.51
EYA3 Q99504 1/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ESR1 P03372 1/20 0.49
PGR P06401 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL283212 0.91 MAPK1 (0.60) SLC22A12CYP2C9PTPN1EYA3MAPK1
SCHEMBL5020569 0.85 SLC22A12 (0.68) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL15488929 0.85 SLC22A12 (0.58) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL5225391 0.85 NR1H4 (0.60) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL9486161 0.84 HTT (0.62) SLC22A12CYP2C9EYA3MAPK1HTT
SCHEMBL12074771 0.84 SLC22A12 (0.57) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL5672649 0.84 SLC22A12 (0.57) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL11823752 0.84 SLC22A12 (0.57) SLC22A12CYP2C9PTPN1EYA3ESR1
Hydrochloric Acid SCHEMBL27860354 0.83 SLC22A12 (0.56) SLC22A12CYP2C9PTPN1EYA3ESR1
SCHEMBL4567254 0.82 KDM5A (0.58) ESR1PGRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674121-B2 Process for the production of benzofurans SANOFI (FR) 2014-03-18 US disclosed
US-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS SANOFI (FR) 2012-03-15 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-20120065411-A1 PROCESS FOR THE PRODUCTION OF BENZOFURANS CYP2F1, CYP2B6, CYP4F2 SLC22A12 3257/4885CYP2C9 50/4885PTPN1 4492/4885

“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.