SCHEMBL5896906

SCHEMBL5896906

CCOC(=O)c1cc2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
MMP13 P45452 9/20 0.58
MMP2 P08253 7/20 0.58
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP14 P50281 5/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL5896957 0.87 HRH3 (0.46) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL5896908 0.86 HRH3 (0.42) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL20289864 0.84 KDM4E (0.49) HRH3KDM4EALDH1A1RAB9ANPC1
SCHEMBL5896786 0.83 HRH3 (0.44) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL20266986 0.83 HRH3 (0.52) HRH3KDM4EALDH1A1RAB9ANPC1
SCHEMBL5896935 0.81 LEF1 (0.58) MMP13KDM4EALDH1A1RAB9ANPC1
SCHEMBL5897606 0.80 LEF1 (0.50) KDM4EALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL24196099 0.80 RAB9A (0.60) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL5896915 0.80 HRH3 (0.57) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL3027522 0.79 MMP13 (0.72) HRH3MMP13MMP2KDM4EALDH1A1

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.