SCHEMBL12378827

SCHEMBL12378827

CC1(CNc2ccc(Br)cc2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.46
MMP2 P08253 2/20 0.46
MMP13 P45452 2/20 0.46
FPR2 P25090 11/20 0.43
ADAMTS4 O75173 2/20 0.40
MMP3 P08254 1/20 0.40
MMP12 P39900 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADAM17 P78536 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL14085483 0.82 ALDH1A1 (0.45) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL12378675 0.79 ALDH1A1 (0.42) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL12378820 0.77 ADAM17 (0.51) ADAMTS5MMP2MMP13MMP3ALDH1A1
SCHEMBL29372256 0.74 ADAMTS7 (0.52) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL12378835 0.73 SMN1; SMN2 (0.68) ADAMTS5MMP2MMP13FPR2SMN1; SMN2
SCHEMBL12378824 0.72 SMN1; SMN2 (0.48) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL12378821 0.72 ADAMTS5 (0.43) ADAMTS5MMP2MMP13FPR2ADAMTS4
SCHEMBL12378832 0.71 PLCG1 (0.44) ADAMTS5MMP2MMP13MMP12SMN1; SMN2
SCHEMBL12378830 0.70 ADAMTS5 (0.42) ADAMTS5MMP2MMP13FPR2ADAMTS4
SCHEMBL204119 0.66 LMNA (0.51) ADAMTS5MMP2MMP13ALDH1A1ADAM17

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.