SCHEMBL9890664

SCHEMBL9890664

O=C(O)Cc1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.60
POLB P06746 3/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS2 P35354 2/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ELANE P08246 1/20 0.44
PTPRC P08575 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
S100A4 P26447 1/20 0.44
MAPT P10636 2/20 0.43
HSP90AA1 P07900 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
SCHEMBL9890762 0.88 PTGDR2 (0.54) CYP1A2PTGDR2POLBRAB9AMEN1
SCHEMBL9890665 0.83 CYP1A2 (0.57) CYP1A2PTGDR2RAB9AMEN1KMT2A
SCHEMBL4268964 0.81 PTGDR2 (0.52) CYP1A2PTGDR2POLBRAB9AMEN1
SCHEMBL6292292 0.80 CYP1A2 (0.75) CYP1A2PTGDR2MEN1KMT2AMAPK1
SCHEMBL11396189 0.80 PTGDR2 (0.58) PTGDR2POLBRAB9APTGS2MYC
SCHEMBL27352311 0.80 CYP1A2 (0.69) CYP1A2PTGDR2MEN1KMT2AALDH1A1
SCHEMBL19212216 0.79 PTGDR2 (0.51) PTGDR2POLBRAB9AMEN1KMT2A
SCHEMBL19212217 0.79 PTGDR2 (0.51) PTGDR2POLBRAB9AMEN1KMT2A
SCHEMBL6037267 0.79 CYP1A2 (0.73) CYP1A2MAPK1ALDH1A1MAPTLMNA
SCHEMBL3291900 0.78 CYP1A2 (1.00) CYP1A2MEN1KMT2AMAPK1ALDH1A1

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 1062/4885POLB 4657/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CYP1A2 72/4885PTGDR2 1062/4885POLB 4657/4885

“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.