SCHEMBL9890665

SCHEMBL9890665

O=C(O)Cc1ccc([N+](=O)[O-])cc1-c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.46
PTPRC P08575 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
S100A4 P26447 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 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
SCHEMBL2397953 0.88 GAA (0.43) CYP1A2PTPRCBCHEACHECES1
SCHEMBL9890664 0.83 CYP1A2 (0.63) CYP1A2PTGDR2PTPRCBCHEACHE
SCHEMBL2889685 0.81 CYP1A2 (0.69) CYP1A2PTGDR2MAPTMEN1KMT2A
SCHEMBL2033346 0.81 CYP1A2 (0.69) CYP1A2PTGDR2MAPTMEN1KMT2A
SCHEMBL9890652 0.80 CXCL8 (0.50) CXCL8
SCHEMBL6292292 0.79 CYP1A2 (0.75) CYP1A2PTGDR2MAPTMEN1KMT2A
SCHEMBL18113462 0.79 ALDH1A1 (0.53) PTPRCBCHEACHECES1S100A4
SCHEMBL30166451 0.79 ALDH1A1 (0.53) PTPRCBCHEACHECES1S100A4
SCHEMBL15819946 0.78 CYP1A2 (0.64) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL1578785 0.78 CYP1A2 (0.64) CYP1A2MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CYP1A2 72/4885PTGDR2 1062/4885PTPRC 3747/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CYP1A2 72/4885PTGDR2 1062/4885PTPRC 3747/4885

“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.