SCHEMBL2201856

SCHEMBL2201856

CC(OC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.42
GRM5 P41594 1/20 0.41
EPHX1 P07099 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
EPHX2 P34913 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 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
SCHEMBL2199200 0.84 EPHX1 (0.54) NAAAKMT2AMEN1MAPTALDH1A1
SCHEMBL2675822 0.81 KMT2A (0.53) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL2201329 0.80 EPHX1 (0.44) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL2201239 0.80 ALDH1A1 (0.51) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL2200612 0.80 EPHX1 (0.47) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL7905311 0.77 ALDH1A1 (0.45) KMT2ARAB9AMEN1MAPTALDH1A1
SCHEMBL27715898 0.76 CASP6 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17509955 0.75 NAAA (0.47) NAAAKMT2ARAB9AMAPTALDH1A1
SCHEMBL31286268 0.75 NAAA (0.47) NAAAKMT2ARAB9AMAPTALDH1A1
SCHEMBL2674274 0.74 KMT2A (0.53) KMT2ARAB9AMEN1MAPTALDH1A1

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 NAAA 1914/4885KMT2A 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.