SCHEMBL12378821

SCHEMBL12378821

CC1(CSc2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.43
MMP2 P08253 4/20 0.43
MMP13 P45452 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.35
ITGAL P20701 1/20 0.35
ADAM17 P78536 3/20 0.34
AKR1B1 P15121 2/20 0.34
MMP3 P08254 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP12 P39900 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM9 Q13443 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL6210406 0.84 ADAMTS5 (0.43) ADAMTS5MMP2MMP13SMN1; SMN2NPSR1
SCHEMBL6841100 0.83 ALDH1A1 (0.46) ADAMTS5MMP2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL6879272 0.79 MMP14 (0.38) MMP2MMP13SMN1; SMN2NPSR1CRBN
SCHEMBL7199008 0.79 MMP14 (0.38) MMP2MMP13SMN1; SMN2NPSR1CRBN
SCHEMBL12378669 0.79 ALDH1A1 (0.42) ADAMTS5MMP2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL941821 0.76 MMP2 (0.49) MMP2MMP13SMN1; SMN2NPSR1MMP3
SCHEMBL12378835 0.73 SMN1; SMN2 (0.68) ADAMTS5MMP2MMP13SMN1; SMN2NPSR1
SCHEMBL12378827 0.72 ADAMTS5 (0.46) ADAMTS5MMP2MMP13SMN1; SMN2NPSR1
SCHEMBL12378824 0.72 SMN1; SMN2 (0.48) ADAMTS5MMP2MMP13SMN1; SMN2NPSR1
SCHEMBL5514431 0.72 SMN1; SMN2 (0.41) ADAMTS5MMP2MMP13SMN1; SMN2NPSR1

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 ADAMTS5 3194/4885MMP2 1337/4885MMP13 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.