SCHEMBL5896860

SCHEMBL5896860

CNC(=N)NCCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4cc(C(=O)NCCCNC(=N)NC)[nH]c4c3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.50
ITGA2B P08514 15/20 0.50
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
PLD2 O14939 1/20 0.45
PLD1 Q13393 1/20 0.45

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
SCHEMBL5677289 0.95 ITGB3 (0.53) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5896977 0.87 ITGB3 (0.44) ITGB3ITGA2BKDM4EALOX15DRD2
SCHEMBL6809873 0.86 ITGB3 (0.43) ITGB3ITGA2BKDM4EALOX15DRD2
SCHEMBL5897593 0.84 ITGB3 (0.45) ITGB3ITGA2BPLD2PLD1
SCHEMBL5896620 0.84 KDM4E (0.50) ITGB3ITGA2BKDM4EALOX15PLD2
SCHEMBL5889476 0.83 KDM4E (0.61) ITGB3ITGA2BKDM4EALOX15DRD2
SCHEMBL5896655 0.83 KDM4E (0.51) ITGB3ITGA2BKDM4EPLD2PLD1
SCHEMBL5896871 0.82 ITGB3 (0.46) ITGB3ITGA2BKDM4EDRD2DRD3
SCHEMBL5680218 0.81 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL5677479 0.81 ITGB3 (0.46) ITGB3ITGA2BKDM4EDRD2DRD3

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 4 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
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.