SCHEMBL12378834

SCHEMBL12378834

CC1(CCc2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 1/20 0.52
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ADAMTS5 Q9UNA0 3/20 0.42
MMP2 P08253 1/20 0.42
ATM Q13315 1/20 0.41
ADAM17 P78536 2/20 0.41
GRM5 P41594 1/20 0.39
TNF P01375 1/20 0.38
PARP1 P09874 1/20 0.38
MMP13 P45452 1/20 0.38
CHRM2 P08172 1/20 0.37
S1PR1 P21453 1/20 0.37
FPR1 P21462 1/20 0.37
FPR3 P25089 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GPR65 Q8IYL9 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
SCHEMBL9584263 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL12378614 0.80 ACACB (0.45) SMN1; SMN2NPSR1ALDH1A1FFAR1FFAR4
SCHEMBL14935536 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL12378835 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL14935501 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL14935402 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP2
SCHEMBL12378666 0.78 ALDH1A1 (0.46) SMN1; SMN2NPSR1ALDH1A1FFAR1ADAMTS5
SCHEMBL12378668 0.77 ALDH1A1 (0.43) SMN1; SMN2NPSR1ALDH1A1FFAR1FFAR4
SCHEMBL12378675 0.77 ALDH1A1 (0.42) SMN1; SMN2NPSR1ALDH1A1FFAR1ADAMTS5
SCHEMBL12378669 0.77 ALDH1A1 (0.42) SMN1; SMN2NPSR1ALDH1A1FFAR1ADAMTS5

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

“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.