SCHEMBL267537

SCHEMBL267537

COc1cccc(C(C)[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
FBP1 P09467 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CASR P41180 2/20 0.44
CNR1 P21554 1/20 0.43
AOC3 Q16853 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
PRKG1 Q13976 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHEK1 O14757 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKCG P05129 1/20 0.42

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
SCHEMBL27656326 0.84 FBP1 (0.49) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL188305 0.83 TSHR (0.39) MAPK1L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL6283602 0.83 FBP1 (0.47) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL9681042 0.82 ALDH1A1 (0.44) MAPK1FBP1
SCHEMBL4297104 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3
SCHEMBL20514192 0.81 MAPK1 (0.51) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL19169780 0.81 MAPK1 (0.51) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL7455624 0.80 MAPK1 (0.59) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL17466751 0.79 CNR1 (0.52) MAPK1CHRM2CHRM1CHRM3FBP1
SCHEMBL3696478 0.79 CNR1 (0.52) MAPK1CHRM2CHRM1CHRM3FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
CN-1835800-B Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2010-04-28 CN disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
CN-1835800-A Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2006-09-20 CN disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP 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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 MAPK1 2581/4885CHRM2 2600/4885CHRM1 1419/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MAPK1 2581/4885CHRM2 2600/4885CHRM1 1419/4885

“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.