SCHEMBL5896864

SCHEMBL5896864

CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.51
PYGL P06737 2/20 0.43
KDM4E B2RXH2 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 2/20 0.42
PRNP P04156 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
BRD4 O60885 1/20 0.40
MMP13 P45452 1/20 0.39
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5087407 0.86 LEF1 (0.55) LEF1PYGLKDM4ERAB9ANPC1
SCHEMBL5896960 0.85 HRH4 (0.47) RAB9ANPC1ALDH1A1HRH4MAPT
SCHEMBL5896865 0.85 LEF1 (0.54) LEF1PYGLKDM4ERAB9ANPC1
SCHEMBL5896861 0.84 LEF1 (0.38) LEF1PYGLKDM4EHRH4BRD4
SCHEMBL5896947 0.82 ALOX15 (0.47) KDM4ERAB9ANPC1ALDH1A1HRH4
SCHEMBL5897606 0.81 LEF1 (0.50) LEF1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL28082015 0.79 MAOA (0.59) PYGLKDM4ERAB9ANPC1ALDH1A1
SCHEMBL931628 0.79 NHERF1 (0.52) PYGLRAB9ANPC1HRH4TP53
SCHEMBL5087401 0.79 MMP13 (0.65) PYGLKDM4ERAB9ANPC1ALDH1A1
SCHEMBL5889519 0.78 HRH4 (0.45) PYGLKDM4ERAB9ANPC1ALDH1A1

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 2 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
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 LEF1 1977/4885PYGL 3811/4885KDM4E 986/4885

“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.