SCHEMBL5680445

SCHEMBL5680445

CCN(N=C(N)N)C(=O)c1nc2cc(NC(=O)c3cc4cc(C(=O)NC(C)N=C(N)N)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NHERF1 O14745 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
PYGL P06737 3/20 0.35
EGFR P00533 1/20 0.34
PIK3CA P42336 1/20 0.34
ROCK2 O75116 1/20 0.34
HRAS P01112 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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 0.91 ITGB3 (0.44) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5675889 0.88 ITGB3 (0.42) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5896610 0.87 ITGB3 (0.40) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5675927 0.84 ITGB3 (0.39) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5896585 0.84 ITGB3 (0.39) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5680056 0.83 ITGB3 (0.41) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5889465 0.81 PLD2 (0.47) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5675862 0.81 ITGB3 (0.41) ITGB3ITGA2BMAPTPOLB
SCHEMBL5677502 0.81 HRAS (0.37) ITGB3ITGA2BPLD2PLD1NPC1
SCHEMBL5889682 0.79 PLD2 (0.45) ITGB3ITGA2BPLD2PLD1NPC1

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 8 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
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP claimed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP claimed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO claimed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 US claimed
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

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 4759/4885PLD2 4718/4885

“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.