SCHEMBL6353385

SCHEMBL6353385

CC(C)(C)OC(=O)c1cc(C#N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GPR119 Q8TDV5 1/20 0.35
NR3C2 P08235 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20379477 0.88 KDM4E (0.41) ABCB1KDM4EALDH1A1GAAMAPT
SCHEMBL27485740 0.84 GABRA1 (0.43) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL4842734 0.83 ALDH1A1 (0.57) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL28327228 0.82 GABRA1 (0.38) ABCB1GABRA1GABRG2GABRB3GABRA3
SCHEMBL6918860 0.82 GABRA1 (0.38) ABCB1GABRA1GABRG2GABRB3GABRA3
SCHEMBL1129461 0.82 GABRA1 (0.38) ABCB1GABRA1GABRG2GABRB3GABRA3
SCHEMBL26717187 0.82 PDK1 (0.42) ABCB1GABRA1GABRG2GABRB3GABRA3
SCHEMBL6116171 0.80 GPR119 (0.44) ALDH1A1GAAMAPTGPR119NR3C2
SCHEMBL10164134 0.80 GABRA1 (0.42) ABCB1GABRA1GABRG2GABRB3GABRA3
SCHEMBL1185611 0.79 KMT2A (0.52) KDM4EALDH1A1GAAMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 (2 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 ABCB1 1279/4885KDM4E 2637/4885ALDH1A1 462/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ABCB1 1171/4885KDM4E 1240/4885ALDH1A1 170/4885

“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.