SCHEMBL12416702

SCHEMBL12416702

CC1(COc2ccc(-c3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 5/20 0.45
MMP13 P45452 4/20 0.45
MMP3 P08254 3/20 0.44
ADAMTS4 O75173 1/20 0.44
MMP12 P39900 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MMP9 P14780 3/20 0.43
ADAM17 P78536 5/20 0.43
MMP14 P50281 2/20 0.43
MMP8 P22894 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GSTP1 P09211 1/20 0.39

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 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL6878178 0.87 MMP13 (0.58) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL12378666 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL6878332 0.86 PGR (0.49) SMN1; SMN2NPSR1MMP2MMP13MMP3
SCHEMBL6876082 0.85 MMP13 (0.47) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL12378824 0.82 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL6840055 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13
SCHEMBL6840157 0.80 FYN (0.46) MMP2MMP13MMP3ADAMTS4MMP12
SCHEMBL6841109 0.80 MMP2 (0.51) SMN1; SMN2MMP2MMP13MMP3MMP9
SCHEMBL1108470 0.75 MMP2 (0.46) ALDH1A1SMN1; SMN2NPSR1MMP2MMP13

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 ALDH1A1 1419/4885SMN1; SMN2 3565/4885NPSR1 2846/4885

“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.