SCHEMBL5897373

SCHEMBL5897373

CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLEC4M Q9H2X3 1/20 0.57
▸ DNA2 P51530 1/20 0.57
▸ CASP6 P55212 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NR4A2 P43354 2/20 0.49
▸ CACNA1C Q13936 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL4739348 0.91 CLEC4M (0.71) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL3245558 0.84 CLEC4M (0.52) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL3066032 0.81 DNA2 (0.66) DNA2CASP6CTDSP1ALDH1A1MAPT
SCHEMBL1277854 0.81 DNA2 (0.83) DNA2CASP6CTDSP1KDM4EALDH1A1
SCHEMBL5752237 0.80 ALDH1A1 (0.54) CLEC4MKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11329048 0.77 ALDH1A1 (0.49) CLEC4MALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL6215533 0.77 DNA2 (0.61) DNA2CASP6CTDSP1KDM4EALDH1A1
SCHEMBL4728649 0.77 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL4135400 0.77 THRB (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL3481205 0.76 TSHR (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MAPK1

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 — — US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 — — 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 (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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L CLEC4M 930/4885DNA2 807/4885CASP6 82/4885

“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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