SCHEMBL5677265

SCHEMBL5677265

NCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)NCCN)cc4c3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
HDAC2 Q92769 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NHERF1 O14745 2/20 0.51
PLD2 O14939 1/20 0.50
PLD1 Q13393 1/20 0.50
PYGL P06737 1/20 0.47
EGFR P00533 2/20 0.47
PIK3CA P42336 2/20 0.47

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
SCHEMBL5680312 0.94 NHERF1 (0.54) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5896655 0.94 KDM4E (0.51) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889537 0.92 KDM4E (0.51) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889562 0.90 HDAC2 (0.50) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889522 0.89 KDM4E (0.53) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5679912 0.89 MMP13 (0.62) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5896783 0.87 ITGB3 (0.58) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889622 0.87 ITGB3 (0.53) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889814 0.87 HDAC2 (0.50) ITGB3ITGA2BHDAC2KDM4EHSD17B10
SCHEMBL5889830 0.87 KDM4E (0.57) ITGB3ITGA2BHDAC2KDM4EHSD17B10

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
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 4759/4885HDAC2 750/4885

“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.