SCHEMBL5677017

SCHEMBL5677017

C/N=C(/NC)NCCNC(=O)c1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KDM4E B2RXH2 3/20 0.46
HRH4 Q9H3N8 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NHERF1 O14745 1/20 0.44
PYGL P06737 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
SCHEMBL6809926 0.90 HRH3 (0.51) ITGB3ITGA2BHRH3KDM4EHRH4
SCHEMBL5677479 0.84 ITGB3 (0.46) ITGB3ITGA2BKDM4EMAPTALDH1A1
SCHEMBL5896871 0.82 ITGB3 (0.46) ITGB3ITGA2BKDM4EMAPTALDH1A1
SCHEMBL26490133 0.82 HRH3 (0.60) ITGB3ITGA2BHRH3KDM4EMAPT
SCHEMBL6809873 0.81 ITGB3 (0.43) ITGB3ITGA2BKDM4EMAPTALDH1A1
SCHEMBL5896977 0.80 ITGB3 (0.44) ITGB3ITGA2BKDM4EMAPTALDH1A1
SCHEMBL5897026 0.78 ITGB3 (0.60) ITGB3ITGA2BHRH3KDM4E
SCHEMBL20266986 0.77 HRH3 (0.52) ITGB3ITGA2BHRH3KDM4EHRH4
Hydrochloric Acid SCHEMBL6809892 0.77 HDAC2 (0.44) ITGB3ITGA2BHRH3KDM4EHRH4
SCHEMBL5682522 0.75 ITGB3 (0.65) ITGB3ITGA2BKDM4E

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 7 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 claimed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 US claimed
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO 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 4759/4885HRH3 1724/4885

“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.