SCHEMBL12378824

SCHEMBL12378824

CC1(COc2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP13 P45452 7/20 0.46
MMP2 P08253 4/20 0.46
ADAMTS5 Q9UNA0 2/20 0.46
MMP12 P39900 2/20 0.46
MMP3 P08254 2/20 0.46
ADAMTS4 O75173 1/20 0.46
ADAM17 P78536 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP14 P50281 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM9 Q13443 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
SCHEMBL1108471 0.84 ALDH1A1 (0.52) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL12416702 0.82 ALDH1A1 (0.48) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL6878178 0.81 MMP13 (0.58) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL12378666 0.80 ALDH1A1 (0.46) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL6876082 0.79 MMP13 (0.47) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL1108470 0.78 MMP2 (0.46) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL6874389 0.77 MMP13 (0.49) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL6840055 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1MMP13MMP2ADAMTS5
SCHEMBL6878332 0.74 PGR (0.49) SMN1; SMN2NPSR1MMP13MMP2MMP3
SCHEMBL6839882 0.74 ADAM17 (0.47) MMP13MMP2ADAMTS5MMP3ADAM17

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-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-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
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 SMN1; SMN2 3565/4885NPSR1 2846/4885MMP13 1137/4885

“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.