SCHEMBL12378616

SCHEMBL12378616

CC1(CC(=O)NCCc2cccc(C#Cc3ccccc3)c2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PTGES O14684 3/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F13A1 P00488 1/20 0.38
FSHR P23945 1/20 0.38
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 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
SCHEMBL12378614 0.90 ACACB (0.45) ALDH1A1HPGDSMN1; SMN2PPARGMAPK10
SCHEMBL12418496 0.86 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1HPGDKMT2A
SCHEMBL12416711 0.80 IL1RN (0.46) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL12378610 0.78 RAB9A (0.54) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2874189 0.75 ADAMTS5 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2872428 0.74 POLB (0.52) ALDH1A1HPGDSMN1; SMN2ADAMTS4MMP2
SCHEMBL12378611 0.74 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL12378623 0.73 ACACB (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2FFAR1
SCHEMBL2865065 0.73 HPGD (0.49) HPGDKMT2AMEN1SMN1; SMN2TDP1
SCHEMBL12378634 0.70 ADAM17 (0.56) ADAMTS4MMP2MMP3MMP12MMP13

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 MTNR1A 2480/4885MTNR1B 2889/4885PTGES 1426/4885

“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.