SCHEMBL7552991

SCHEMBL7552991

C=CCc1ccc([N+](=O)[O-])c2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.50
▸ DNA2 P51530 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ CSNK2A2 P19784 4/20 0.40
▸ CSNK2B P67870 4/20 0.40
▸ CSNK2A1 P68400 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HCAR3 P49019 1/20 0.36
▸ FBP1 P09467 3/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ DTYMK P23919 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.32

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
SCHEMBL7559605 0.81 CSNK2A1 (0.43) CASP6DNA2CTDSP1CSNK2A2CSNK2B
SCHEMBL7512239 0.78 DNA2 (0.56) CASP6DNA2CTDSP1CSNK2A2CSNK2B
SCHEMBL2980616 0.78 CASP6 (0.56) CASP6DNA2CTDSP1CSNK2A2CSNK2B
SCHEMBL7556910 0.73 CSNK2A2 (0.55) CASP6DNA2CTDSP1CSNK2A2CSNK2B
SCHEMBL11627091 0.68 HCAR3 (0.43) CASP6CYP1A2HCAR3FBP1DTYMK
SCHEMBL17512440 0.67 HCAR3 (0.62) CASP6HCAR3
SCHEMBL425321 0.67 CASP6 (0.60) CASP6HCAR3
SCHEMBL4334739 0.67 DNA2 (1.00) CASP6DNA2CTDSP1CSNK2A2CSNK2B
SCHEMBL6537400 0.67 DNA2 (0.55) CASP6DNA2CTDSP1CYP1A2HSD17B10
SCHEMBL11622639 0.66 DTYMK (0.42) CASP6HSD17B10HCAR3DTYMKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof DAIICHI PHARMACEUTICAL CO., LTD. 2002-12-19 — — US disclosed
EP-1167344-A1 PROCESS FOR PRODUCING 5-AMINO-8- ALKYLQUINOLO NECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES IN THE PRODUCTION THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 — — EP 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-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof SQOR, XDH, SPOUT1 CASP6 535/4885DNA2 1658/4885CTDSP1 1424/4885

“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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