SCHEMBL13778136

SCHEMBL13778136

C/C=C/OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
POLB P06746 2/20 0.53
CES1 P23141 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL9317591 0.86 MAPK1 (0.56) MAPK1POLBCES1KMT2AMEN1
SCHEMBL28634355 0.85 CES1 (0.53) MAPK1POLBCES1KMT2AMEN1
SCHEMBL13778239 0.82 TDP1 (0.53) MAPK1POLBCES1KMT2AMEN1
SCHEMBL3925272 0.81 POLB (0.55) MAPK1POLBCES1KMT2AMEN1
SCHEMBL3925273 0.81 POLB (0.55) MAPK1POLBCES1KMT2AMEN1
SCHEMBL4533690 0.81 CES1 (0.57) MAPK1POLBCES1KMT2AMEN1
SCHEMBL4900644 0.79 CES1 (0.55) MAPK1POLBCES1KMT2AMEN1
SCHEMBL7232896 0.78 ALOX5 (0.46) POLBKMT2AMEN1TDP1PTPN2
SCHEMBL28786163 0.78 CYP1B1 (0.62) MAPK1POLBCES1KMT2AMEN1
SCHEMBL9775056 0.78 ADRB2 (0.52) MAPK1POLBCES1KMT2AMEN1

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-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 MAPK1 1293/4885POLB 4575/4885CES1 289/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 MAPK1 1293/4885POLB 4575/4885CES1 289/4885

“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.