SCHEMBL5897347

SCHEMBL5897347

N=C(N)NCCNC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C(=O)NCCNC(=N)N)cc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
HRAS P01112 2/20 0.51
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
HDAC2 Q92769 1/20 0.51
NHERF1 O14745 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL5677297 0.90 ITGB3 (0.64) ITGB3ITGA2BHDAC2
SCHEMBL5889527 0.87 HRAS (0.61) ITGB3ITGA2BHRASESR1ESR2
SCHEMBL5897339 0.85 HRAS (0.48) ITGB3ITGA2BHRASESR1ESR2
SCHEMBL7255843 0.84 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL5677265 0.84 ITGB3 (0.54) ITGB3ITGA2BHDAC2NHERF1
SCHEMBL5680387 0.84 ITGB3 (0.64) ITGB3ITGA2BHDAC2NHERF1
SCHEMBL5889622 0.83 ITGB3 (0.53) ITGB3ITGA2BHRASESR1ESR2
SCHEMBL5889839 0.83 HDAC2 (0.56) ITGB3ITGA2BHDAC2NHERF1MAOA
SCHEMBL5897020 0.83 ITGB3 (0.60) ITGB3ITGA2BHRASESR1ESR2
SCHEMBL5889938 0.82 ITGB3 (0.49) ITGB3ITGA2BHRASESR1ESR2

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 4759/4885HRAS 1309/4885

“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.