SCHEMBL12378819

SCHEMBL12378819

CC1(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
ADAMTS4 O75173 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MMP8 P22894 1/20 0.43
GAA P10253 2/20 0.43
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADAM17 P78536 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12418578 0.82 ADAMTS5 (0.52) MGLLADAMTS4ADAMTS5MMP2MMP3
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.75 MGLL (0.74) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL18703462 0.74 MGLL (0.78) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL31414907 0.74 MGLL (0.56) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL25381206 0.74 MGLL (0.56) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL7899962 0.73 ADAMTS4 (0.46) ADAMTS4ADAMTS5MMP2MMP3MMP12
SCHEMBL14617269 0.72 MGLL (0.84) MGLLMMP2FAAHTRPV1BCL9
SCHEMBL19412173 0.72 MGLL (0.84) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL3398600 0.72 MGLL (0.65) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL11919307 0.71 MGLL (0.64) MGLLFAAHTRPV1BCL9CTNNB1

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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT MGLL 469/4885ADAMTS4 3629/4885ADAMTS5 3194/4885

“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.