SCHEMBL5897050

SCHEMBL5897050

CC(C)Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2cc(C(=O)NCCCNC(=O)OC(C)(C)C)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
BRD4 O60885 2/20 0.35
LEF1 Q9UJU2 1/20 0.35
GNRHR P30968 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SCN3A Q9NY46 2/20 0.34
SCN4A P35499 1/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
MLLT1 Q03111 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL5896861 0.81 LEF1 (0.38) BRD4LEF1GNRHRDRD2SCN3A
SCHEMBL5896947 0.80 ALOX15 (0.47) ALOX15BRD4HDAC1HDAC2DRD2
SCHEMBL5896808 0.79 GAA (0.42) BRD4
SCHEMBL5896960 0.77 HRH4 (0.47) ALOX15BRD4HDAC1HDAC2DRD2
SCHEMBL5896864 0.75 LEF1 (0.51) BRD4LEF1
SCHEMBL5680304 0.72 ITGB3 (0.40) LEF1HDAC2MLLT1
SCHEMBL5680583 0.71 HRH4 (0.47) ALOX15BRD4
SCHEMBL5897606 0.71 LEF1 (0.50) ALOX15LEF1HDAC2MLLT1
SCHEMBL20289680 0.71 ALOX15 (0.51) ALOX15HDAC1HDAC2DRD2DRD3
SCHEMBL5889561 0.70 GAA (0.45) BRD4DRD2

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 ALOX15 3366/4885BRD4 536/4885LEF1 1977/4885

“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.