SCHEMBL6700976

SCHEMBL6700976

O=c1c2cc(C#CCc3ccc(F)cc3)oc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.57
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL6703229 0.92 MMP13 (0.51) MMP13LMNASMN1; SMN2HTTMEN1
SCHEMBL6703263 0.83 MMP13 (0.65) MMP13SMN1; SMN2
SCHEMBL6701193 0.78 MMP13 (0.64) MMP13LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6705173 0.78 MMP13 (0.52) MMP13LMNASMN1; SMN2HTTMEN1
SCHEMBL6698933 0.77 MMP13 (0.49) MMP13LMNASMN1; SMN2HTTMEN1
SCHEMBL6699569 0.75 MMP13 (0.57) MMP13LMNASMN1; SMN2HTTMEN1
SCHEMBL6297353 0.73 MMP13 (1.00) MMP13SMN1; SMN2L3MBTL1
SCHEMBL6302837 0.72 MMP13 (0.73) MMP13SMN1; SMN2HTTL3MBTL1
SCHEMBL6696806 0.71 KDM4E (0.47) MMP13LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6704202 0.70 MMP13 (0.57) MMP13LMNASMN1; SMN2HTTMEN1

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885LMNA 2847/4885SMN1; SMN2 3684/4885

“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.