SCHEMBL5675862

SCHEMBL5675862

CCN(N=C(N)N)C(=O)c1cc2cccc(NC(=O)c3cc4cc(C(=O)NC(C)N=C(N)N)ccc4[nH]3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
HDAC2 Q92769 5/20 0.39
CCKAR P32238 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL5675941 0.88 ITGB3 (0.44) ITGB3ITGA2BHDAC2MAPTPOLB
SCHEMBL5675889 0.85 ITGB3 (0.42) ITGB3ITGA2BMAPTPOLB
SCHEMBL5896610 0.84 ITGB3 (0.40) ITGB3ITGA2BHDAC2MAPTPOLB
SCHEMBL5680445 0.81 ITGB3 (0.40) ITGB3ITGA2BMAPTPOLB
SCHEMBL5675927 0.79 ITGB3 (0.39) ITGB3ITGA2BHDAC2MAPTPOLB
SCHEMBL5677502 0.79 HRAS (0.37) ITGB3ITGA2BPOLB
SCHEMBL5896585 0.79 ITGB3 (0.39) ITGB3ITGA2BMAPTPOLB
SCHEMBL5680056 0.79 ITGB3 (0.41) ITGB3ITGA2BMAPTPOLB
SCHEMBL5889465 0.77 PLD2 (0.47) ITGB3ITGA2BHDAC2MAPTPOLB
SCHEMBL5676458 0.76 HRAS (0.37) ITGB3ITGA2BPOLB

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.