SCHEMBL5680308

SCHEMBL5680308

CCN(N)C(=O)c1cc2cc(C(=O)Nc3cc(C(=O)NCCNC(=O)OC(C)(C)C)n(CC(C)C)c3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
MLLT1 Q03111 1/20 0.35
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
LEF1 Q9UJU2 1/20 0.34
BTK Q06187 1/20 0.34
HPN P05981 1/20 0.32
ABCB1 P08183 1/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
BRD4 O60885 2/20 0.32
SCN4A P35499 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL5680304 0.88 ITGB3 (0.40) HRASESR1ESR2MLLT1ITGB3
SCHEMBL5896786 0.88 HRH3 (0.44) HRASESR1ESR2MLLT1LEF1
SCHEMBL5896861 0.79 LEF1 (0.38) HRASESR1ESR2LEF1BRD4
SCHEMBL5679787 0.77 HRAS (0.45) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896872 0.76 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5679921 0.75 HRAS (0.44) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896957 0.70 HRH3 (0.46) ITGB3ITGA2BHPN
SCHEMBL5896840 0.70 HDAC1 (0.35) ITGB3ITGA2BBTKHPN
SCHEMBL5897606 0.70 LEF1 (0.50) MLLT1ITGB3ITGA2BLEF1PLD2
SCHEMBL5676458 0.70 HRAS (0.37) HRASESR1ESR2ITGB3ITGA2B

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 HRAS 1309/4885ESR1 3790/4885ESR2 4030/4885

“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.