SCHEMBL6351877

SCHEMBL6351877

CC(C)(C)OC(=O)c1cc(I)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
CFTR P13569 3/20 0.38
GABRA6 Q16445 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1185611 0.83 KMT2A (0.52) ALDH1A1HSD17B10KDM4EMAPTALOX15
SCHEMBL5619767 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL31757283 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2403279 0.81 MAPT (0.47) ALDH1A1HSD17B10KDM4EMAPTALOX15
SCHEMBL7472823 0.81 ALOX15 (0.48) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL9600264 0.81 EGFR (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL140846 0.81 GAA (0.62) ALDH1A1HSD17B10KDM4EMAPTALOX15
SCHEMBL6817695 0.80 KDM4E (0.56) ALDH1A1HSD17B10KDM4EMAPTALOX15
SCHEMBL415970 0.80 ABL1 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL29517137 0.80 KDM4E (0.56) ALDH1A1HSD17B10KDM4EMAPTALOX15

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-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES 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 GABRG2 3408/4885GABRB3 4156/4885GABRA5 3528/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 GABRG2 31/4885GABRB3 47/4885GABRA5 8/4885

“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.