SCHEMBL5896865

SCHEMBL5896865

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.54
HDAC2 Q92769 2/20 0.46
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PRNP P04156 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN3A Q9NY46 2/20 0.44
SCN4A P35499 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
PYGL P06737 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
MMP13 P45452 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5087408 0.85 LEF1 (0.59) LEF1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5896864 0.85 LEF1 (0.51) LEF1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5897606 0.84 LEF1 (0.50) LEF1HDAC2KDM4ENPC1RAB9A
SCHEMBL5677239 0.84 ALOX15 (0.49) HDAC2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5896829 0.82 LEF1 (0.47) LEF1HDAC2KDM4ENPC1RAB9A
SCHEMBL5676002 0.82 HDAC2 (0.47) HDAC2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5675986 0.82 HDAC2 (0.47) HDAC2KDM4ENPC1RAB9AALDH1A1
SCHEMBL20287496 0.80 HDAC1 (0.57) HDAC2KDM4ENPC1RAB9AALDH1A1
SCHEMBL19453004 0.80 ALDH1A1 (0.52) HDAC2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5896935 0.79 LEF1 (0.58) LEF1KDM4ENPC1RAB9AALDH1A1

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 1977/4885HDAC2 750/4885KDM4E 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.