SCHEMBL2201162

SCHEMBL2201162

NCCCCCCN(C(=O)OCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
GPR35 Q9HC97 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TTR P02766 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
MC4R P32245 1/20 0.35

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
SCHEMBL1055261 0.86 KAT2B (0.37) ALDH1A1GPR35TDP1KDM4EMC4R
SCHEMBL2200129 0.85 CYP1A2 (0.46) ALDH1A1GPR35KMT2ATDP1MAPT
SCHEMBL2200685 0.80 MC4R (0.48) ALDH1A1HTTMC4R
SCHEMBL2201163 0.80 ALDH1A1 (0.35) ALDH1A1GPR35KMT2ATDP1MEN1
SCHEMBL2201246 0.80 MC4R (0.37) ALDH1A1MAPTMC4R
SCHEMBL1057117 0.78 MAOB (0.43) ALDH1A1HPGDHTTMC4R
SCHEMBL16924651 0.76 GPR35 (0.38) ALDH1A1GPR35KMT2ATDP1MEN1
SCHEMBL27715899 0.71 KMT2A (0.46) ALDH1A1GPR35KMT2ATDP1MEN1
SCHEMBL11021352 0.68 ALDH1A1 (0.40) ALDH1A1GPR35KMT2ATDP1MEN1
SCHEMBL7537975 0.68 MC4R (0.51) ALDH1A1HTTMC4R

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 4 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
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
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 ALDH1A1 1144/4885GPR35 1600/4885KMT2A 56/4885

“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.