SCHEMBL11067071

SCHEMBL11067071

COC(=O)c1cc(C)cc([N+](=O)[O-])c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.62
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
KDR P35968 1/20 0.49
ERN1 O75460 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 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
SCHEMBL6828146 0.87 GPR35 (0.52) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL27809236 0.86 GPR35 (0.61) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL7028476 0.85 ERN1 (0.56) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11075976 0.84 GPR35 (0.59) GPR35ALDH1A1MAPTKMT2APOLB
SCHEMBL4301550 0.84 MEN1 (0.52) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL591200 0.84 GPR35 (0.56) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30098373 0.84 GPR35 (0.56) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL505591 0.83 PDGFRB (0.48) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL207052 0.83 ERN1 (0.50) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL205671 0.83 TTR (0.50) GPR35PDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO disclosed
CN-1216851-C Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2005-08-31 CN disclosed
CN-1426390-A Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2003-06-25 CN disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 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 (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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 GPR35 1242/4885PDGFRB 3512/4885FGFR1 1209/4885

“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.