SCHEMBL5676458

SCHEMBL5676458

CCN(N=C(N)N)C(=O)c1cc(NC(=O)c2ccc3[nH]c(C(=O)NC(C)N=C(N)N)cc3c2)cn1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
SMYD3 Q9H7B4 2/20 0.34
ROCK2 O75116 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
PYGL P06737 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 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
SCHEMBL5677502 0.97 HRAS (0.37) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896610 0.86 ITGB3 (0.40) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5675941 0.83 ITGB3 (0.44) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889559 0.82 HRAS (0.50) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5675889 0.81 ITGB3 (0.42) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5680445 0.78 ITGB3 (0.40) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896585 0.77 ITGB3 (0.39) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5675927 0.77 ITGB3 (0.39) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5675862 0.76 ITGB3 (0.41) ITGB3ITGA2BPOLB
SCHEMBL5889465 0.76 PLD2 (0.47) 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 10 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
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP claimed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP claimed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO 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
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.