SCHEMBL13202079

SCHEMBL13202079

CCCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.57
▸ ALOX5 P09917 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA9 Q16790 1/20 0.54

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
SCHEMBL8095237 1.00 ACHE (0.57) ACHEALOX5POLBCA12CA1
SCHEMBL1573660 1.00 ACHE (0.57) ACHEALOX5POLBCA12CA1
SCHEMBL13202235 0.99 ACHE (0.58) ACHEALOX5POLBCA12CA1
SCHEMBL1569306 0.94 ACHE (0.60) ACHEALOX5POLBCA12CA1
SCHEMBL8090142 0.88 ACHE (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL13486978 0.86 POLB (0.67) ACHEALOX5POLBCA12CA1
SCHEMBL13197092 0.85 ACHE (0.54) ACHEALOX5POLBCA12CA1
SCHEMBL9370970 0.84 ALOX5 (0.56) ACHEALOX5POLBCA12CA1
SCHEMBL8083585 0.84 POLB (0.69) ACHEALOX5POLBCA12CA1
SCHEMBL13197086 0.84 ACHE (0.55) ACHEALOX5POLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 — — EP disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 — — US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 — — US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 — — US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 — — 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-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 ACHE 4713/4885ALOX5 961/4885POLB 2872/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 ACHE 4684/4885ALOX5 1109/4885POLB 3437/4885

“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.

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