SCHEMBL2595559

SCHEMBL2595559

COC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSD P07339 3/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
NQO2 P16083 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 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
SCHEMBL19180992 0.87 RAB9A (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7708997 0.84 PDGFRB (0.61) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7975226 0.84 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19182339 0.84 NPC1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9975343 0.82 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6572119 0.82 RAB9A (0.63) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2589897 0.82 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10714392 0.81 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7976510 0.81 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16068887 0.81 LMNA (0.51) ALDH1A1MAPTNPC1SMN1; SMN2LMNA

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-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
CN-103038221-A Chk-1 activity regulator SENTINEL ONCOLOGY LTD 2013-04-10 CN disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E PDGFRB 2094/4885FGFR1 229/4885PDGFRA 2142/4885

“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.