SCHEMBL5896854

SCHEMBL5896854

N=C(N)CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)NCCNC(=N)N)cc2)cn1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRAS P01112 13/20 0.48
ESR1 P03372 13/20 0.48
ESR2 Q92731 13/20 0.48
TOP1 P11387 2/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
MAPK14 Q16539 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL5889504 0.95 HRAS (0.52) HRASESR1ESR2TOP1KDM4E
SCHEMBL5896641 0.92 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL5680577 0.88 HRAS (0.44) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889463 0.86 HRAS (0.46) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889617 0.85 HRAS (0.50) HRASESR1ESR2TOP1KDM4E
SCHEMBL7177291 0.85 HRAS (0.39) HRASESR1ESR2TOP1KDM4E
SCHEMBL5896846 0.84 TOP1 (0.45) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889611 0.82 HRAS (0.49) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889829 0.80 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889526 0.76 HRAS (0.53) HRASESR1ESR2TOP1KDM4E

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 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.