SCHEMBL1301766

SCHEMBL1301766

COC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
AR P10275 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 2/20 0.43
CES2 O00748 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL1301464 0.87 PKM (0.47) ARHTTLMNACYP3A4CES2
SCHEMBL24065737 0.84 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2390749 0.83 CFTR (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2040814 0.83 ALDH1A1 (0.43) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8902175 0.82 CHEK1 (0.51) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2899450 0.82 POLB (0.52) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL6749014 0.81 PDGFRB (0.47) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1721368 0.81 PDGFRB (0.47) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12037805 0.81 PDGFRB (0.42) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1300714 0.80 ALDH1A1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP CHEK1 1383/4885PDGFRB 4187/4885FGFR1 4521/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP CHEK1 1383/4885PDGFRB 4187/4885FGFR1 4521/4885

“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.