SCHEMBL3326982

SCHEMBL3326982

O=[C]OC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 4/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
PLAU P00749 1/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 1/20 0.38
MAPT P10636 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1456068 0.90 CYP1A2 (0.45) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL3325090 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL2777973 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL1060758 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8808237 0.79 CYP1A2 (0.55) ALDH1A1CYP1A2TSHRTDP1MEN1
SCHEMBL8728613 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL8728605 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL9679556 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL29065644 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL384635 0.75 CYP1A2 (0.50) ALDH1A1CYP1A2TSHRTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4153687-A Derivatives, having an inhibitory action against protease and an antiphlogistic action, of the trypsin-kallikrein inhibitor obtained from cattle organs (BPTI), their preparation and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 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-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885

“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.