SCHEMBL12378675

SCHEMBL12378675

CC1(CNc2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ADAMTS5 Q9UNA0 4/20 0.39
MMP2 P08253 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 2/20 0.38
ADAM17 P78536 3/20 0.37
CYP2C9 P11712 1/20 0.36
TNF P01375 1/20 0.36
PARP1 P09874 1/20 0.36
FFAR1 O14842 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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 0.85 ALDH1A1 (0.45) ALDH1A1ADAMTS5MMP2ADAMTS4MMP3
SCHEMBL12378610 0.81 RAB9A (0.54) ALDH1A1ADAMTS5MMP2ADAMTS4MMP3
SCHEMBL12378634 0.80 ADAM17 (0.56) ADAMTS5MMP2ADAMTS4MMP3MMP12
SCHEMBL12378665 0.80 ADAM17 (0.56) ALDH1A1ADAMTS5MMP2ADAMTS4MMP3
SCHEMBL12378827 0.79 ADAMTS5 (0.46) ALDH1A1ADAMTS5MMP2ADAMTS4MMP3
SCHEMBL12378666 0.77 ALDH1A1 (0.46) ALDH1A1ADAMTS5MMP2ADAMTS4MMP3
SCHEMBL12378834 0.77 SMN1; SMN2 (0.60) ALDH1A1ADAMTS5MMP2MMP13SMN1; SMN2
SCHEMBL12378669 0.76 ALDH1A1 (0.42) ALDH1A1ADAMTS5MMP2SMN1; SMN2GRM5
SCHEMBL12378667 0.75 CA12 (0.42) ALDH1A1ADAMTS5MMP2MMP12MMP13
SCHEMBL12378668 0.74 ALDH1A1 (0.43) ALDH1A1ADAMTS5MMP2MMP13SMN1; SMN2

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 ALDH1A1 1419/4885ADAMTS5 3194/4885MMP2 1337/4885

“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.