SCHEMBL5896814

SCHEMBL5896814

NOCCNC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4cc(C(=O)NCCON)[nH]c4c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.48
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
NHERF1 O14745 1/20 0.46
EGFR P00533 2/20 0.45
PIK3CA P42336 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC2 Q92769 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5896655 0.88 KDM4E (0.51) PLD2PLD1ITGB3ITGA2BNHERF1
SCHEMBL5680218 0.88 ITGB3 (0.50) PYGLITGB3ITGA2B
SCHEMBL5896620 0.87 KDM4E (0.50) PYGLPLD2PLD1ITGB3ITGA2B
SCHEMBL5889537 0.86 KDM4E (0.51) PLD2PLD1ITGB3ITGA2BNHERF1
SCHEMBL5889476 0.84 KDM4E (0.61) ITGB3ITGA2BNHERF1HDAC2KDM4E
SCHEMBL5889592 0.83 ITGB3 (0.50) PLD2PLD1ITGB3ITGA2BNHERF1
SCHEMBL5889883 0.83 ITGB3 (0.47) PLD2PLD1ITGB3ITGA2BNHERF1
SCHEMBL5896468 0.82 MMP13 (0.46) PYGLPLD2PLD1NHERF1EGFR
SCHEMBL5677265 0.82 ITGB3 (0.54) PYGLPLD2PLD1ITGB3ITGA2B
SCHEMBL5897606 0.82 LEF1 (0.50) PLD2PLD1ITGB3ITGA2BNHERF1

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 2 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
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 PYGL 3811/4885PLD2 4718/4885PLD1 4523/4885

“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.