SCHEMBL6105331

SCHEMBL6105331

O=C1CN(C#CCc2ccc(C(=O)O)cc2)C(=O)C(C(=O)NCc2ccncc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
ACACB O00763 1/20 0.41
MMP13 P45452 5/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 2/20 0.38
HTT P42858 2/20 0.38
MAPK14 Q16539 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL6107190 0.92 PTGER4 (0.44) ALDH1A1GAANR1H4EPHX2KMT2A
SCHEMBL6106236 0.74 NAMPT (0.45) NAMPTACACBMMP13LMNAALDH1A1
SCHEMBL6105680 0.74 MMP13 (0.41) MMP13LMNAKMT2A
SCHEMBL6184736 0.71 NAMPT (0.42) NAMPTACACBMMP13LMNAALDH1A1
SCHEMBL6233299 0.69 NAMPT (0.48) NAMPTACACBMMP13LMNAGAA
SCHEMBL6230534 0.68 NR1H4 (0.55) NAMPTACACBMMP13LMNAALDH1A1
SCHEMBL6106241 0.67 NAMPT (0.42) NAMPTACACBMMP13LMNAALDH1A1
SCHEMBL6105402 0.67 PTGER4 (0.46) MMP13ALDH1A1GAANR1H4EPHX2
SCHEMBL6104145 0.67 NAMPT (0.41) NAMPTMMP13LMNAALDH1A1GAA
SCHEMBL6104738 0.66 NAMPT (0.45) NAMPTMMP13LMNAALDH1A1GAA

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-7132424-B2 Monocyclic derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-11-07 US disclosed
US-20040043979-A1 Monocyclic derivatives as matrix metalloproteinase inhibitors PICARD JOSEPH ARMAND (US) 2004-03-04 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-20040043979-A1 Monocyclic derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 NAMPT 2488/4885ACACB 4418/4885MMP13 2/4885

“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.