SCHEMBL12378614

SCHEMBL12378614

CC1(CC(=O)NCCc2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 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
SCHEMBL12378616 0.90 MTNR1A (0.42) FFAR1SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL12416711 0.87 IL1RN (0.46) SMN1; SMN2NPSR1L3MBTL1ALDH1A1HPGD
SCHEMBL2872428 0.83 POLB (0.52) ACACBSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL2874189 0.82 ADAMTS5 (0.53) SMN1; SMN2NPSR1L3MBTL1ALDH1A1ADAMTS4
SCHEMBL12378610 0.82 RAB9A (0.54) FFAR1PTPN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12418496 0.80 MTNR1A (0.44) SMN1; SMN2L3MBTL1ALDH1A1HPGDPPARG
SCHEMBL2865065 0.80 HPGD (0.49) SMN1; SMN2NPSR1HPGDTDP1ADAMTS5
SCHEMBL12378834 0.80 SMN1; SMN2 (0.60) FFAR1FFAR4SMN1; SMN2NPSR1ALDH1A1
SCHEMBL12378623 0.78 ACACB (0.44) ACACBFFAR1SMN1; SMN2ALDH1A1
SCHEMBL12378611 0.76 ALDH1A1 (0.45) SMN1; SMN2NPSR1L3MBTL1ALDH1A1HPGD

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 ACACB 2785/4885FFAR1 1489/4885FFAR4 1951/4885

“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.