SCHEMBL5677699

SCHEMBL5677699

CC(C)CCn1cc(NC(=O)c2cc3cc(C(=O)NCCN)ccc3[nH]2)cc1C(=O)NCCCC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.50
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
ITGB3 P05106 16/20 0.49
ITGA2B P08514 16/20 0.49

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
SCHEMBL5889621 0.95 HRAS (0.54) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889846 0.93 HRAS (0.54) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896881 0.92 HRAS (0.51) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896872 0.90 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6489771 0.85 HRAS (0.47) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5679787 0.84 HRAS (0.45) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6486747 0.82 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6779947 0.80 HRAS (0.52) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889526 0.79 HRAS (0.53) HRASESR1ESR2
SCHEMBL5889536 0.79 TERT (0.42)

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.