SCHEMBL5897026

SCHEMBL5897026

NCCNCCNC(=O)c1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.60
ITGA2B P08514 17/20 0.60
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 1/20 0.55
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL5896939 0.90 ITGB3 (0.60) ITGB3ITGA2BKDM4EHSD17B10
SCHEMBL5682522 0.88 ITGB3 (0.65) ITGB3ITGA2BKDM4EHSD17B10
SCHEMBL26490133 0.82 HRH3 (0.60) ITGB3ITGA2BKDM4EHRH3
SCHEMBL5677017 0.78 ITGB3 (0.49) ITGB3ITGA2BKDM4EHRH3
SCHEMBL20266986 0.78 HRH3 (0.52) ITGB3ITGA2BKDM4EHRH3
SCHEMBL5677265 0.77 ITGB3 (0.54) ITGB3ITGA2BKDM4EHSD17B10
SCHEMBL5680312 0.77 NHERF1 (0.54) ITGB3ITGA2BKDM4EHSD17B10
SCHEMBL6809926 0.77 HRH3 (0.51) ITGB3ITGA2BKDM4EHRH3
SCHEMBL5889830 0.77 KDM4E (0.57) ITGB3ITGA2BKDM4EHSD17B10
SCHEMBL16492505 0.76 HDAC3 (0.65) ITGB3ITGA2BKDM4EHSD17B10

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 ITGB3 4436/4885ITGA2B 4759/4885KDM4E 986/4885

“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.