SCHEMBL5896786

SCHEMBL5896786

CCOC(=O)c1cc2cc(C(=O)Nc3cc(C(=O)NCCNC(=O)OC(C)(C)C)n(CC(C)C)c3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MMP13 P45452 7/20 0.43
MMP2 P08253 6/20 0.43
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LEF1 Q9UJU2 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP14 P50281 4/20 0.37
AURKA O14965 1/20 0.37
MMP10 P09238 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL5680304 0.89 ITGB3 (0.40) LEF1HRASESR1ESR2MLLT1
SCHEMBL5680308 0.88 HRAS (0.38) LEF1HRASESR1ESR2MLLT1
SCHEMBL5896906 0.83 HRH3 (0.60) HRH3MMP13MMP2KDM4EMAPT
SCHEMBL5896861 0.81 LEF1 (0.38) KDM4ELEF1HRASESR1ESR2
SCHEMBL5679787 0.77 HRAS (0.45) HRASESR1ESR2
SCHEMBL5896872 0.77 HRAS (0.46) HRASESR1ESR2
SCHEMBL5679921 0.76 HRAS (0.44) HRASESR1ESR2
SCHEMBL8204629 0.72 MMP13 (0.76) HRH3MMP13MMP2KDM4EMAPT
SCHEMBL5896935 0.72 LEF1 (0.58) MMP13KDM4EMAPTALDH1A1RAB9A
SCHEMBL5896957 0.72 HRH3 (0.46) HRH3KDM4EMAPTALDH1A1HPGD

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 HRH3 1724/4885MMP13 1888/4885MMP2 1382/4885

“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.