SCHEMBL2201329

SCHEMBL2201329

CC(OC(=O)NC1CCCCC1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2675822 0.87 KMT2A (0.53) EPHX1KMT2ARAB9AMEN1MAPT
SCHEMBL2200612 0.85 EPHX1 (0.47) EPHX1KMT2ARAB9AMEN1MAPT
SCHEMBL2199200 0.81 EPHX1 (0.54) EPHX1KMT2AMEN1MAPTALDH1A1
SCHEMBL2201856 0.80 NAAA (0.43) EPHX1KMT2ARAB9AMEN1MAPT
SCHEMBL2201239 0.79 ALDH1A1 (0.51) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL7905311 0.78 ALDH1A1 (0.45) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL2202790 0.76 EPHX1 (0.54) EPHX1KMT2ARAB9AMEN1MAPT
SCHEMBL2674274 0.75 KMT2A (0.53) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL27715908 0.75 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13172144 0.73 ALDH1A1 (0.50) KMT2ARAB9AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
CN-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN disclosed
US-7977028-B2 Photosensitive resin composition and adhesion promoter TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed
US-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER TORAY INDUSTRIES, INC. (JP) 2009-05-14 US disclosed
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN disclosed
EP-1909142-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES, INC. (JP) 2008-04-09 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 (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-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER PCNA, TERB1, SMC2 EPHX1 1387/4885KMT2A 56/4885RAB9A 2276/4885

“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.