SCHEMBL3100253

SCHEMBL3100253

COc1ccc(/C=C/[N+](=O)[O-])c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.66
CYP1A1 P04798 10/20 0.66
CYP1B1 Q16678 10/20 0.66
NFE2L2 Q16236 2/20 0.58
FBP1 P09467 2/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP4B1 P13584 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP3A5 P20815 1/20 0.55

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
SCHEMBL3100263 1.00 CYP1A2 (0.66) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL29652580 0.87 TLR9 (0.63) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL8638229 0.87 TLR9 (0.63) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL7418807 0.87 TLR9 (0.63) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL31069475 0.87 TLR9 (0.63) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL11238477 0.87 MAPT (0.49) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL34463065 0.86 FBP1 (0.50) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL34462897 0.86 MAPT (0.55) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL11238478 0.84 MAPT (0.48) CYP1A2CYP1A1CYP1B1NFE2L2FBP1
SCHEMBL11238483 0.84 MAPT (0.48) CYP1A2CYP1A1CYP1B1NFE2L2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3081745-A None JP disclosed
US-20150266850-A1 SUBSTITUTED TOLYL FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-24 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
JP-H0381745-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1991-04-08 JP disclosed
US-4663482-A Intermediates for preparing 7-(2-aminoethyl)-1,3-benzthia- or oxa- zol-2(3H)-ones SMITHKLINE BECKMAN CORPORATION (US) 1987-05-05 US disclosed
EP-0174811-A2 7-(2-aminoethyl)-1,3-Benzthia- or oxa- zol-2(3H) -ones SMITHKLINE BECKMAN CORPORATION (US) 1986-03-19 EP disclosed
US-4554284-A 7-(2-Aminoethyl)-1,3-benzthia- or oxa-zol-2(3H)-ones SMITHKLINE BECKMAN CORPORATION (US) 1985-11-19 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 (2 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-20150266850-A1 SUBSTITUTED TOLYL FUNGICIDES TH, CYP1B1, CYP1A1 CYP1A2 17/4885CYP1A1 3/4885CYP1B1 2/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 CYP1A2 3328/4885CYP1A1 4648/4885CYP1B1 4663/4885

“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.