SCHEMBL19087018

SCHEMBL19087018

CCCCCCCC(CCCCCCC)c1noc(CN)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL18671633 1.00 NOTUM (0.31) NOTUMSPHK1OPRM1
SCHEMBL25018173 0.75 MAPT (0.33)
SCHEMBL25018129 0.73 MAPT (0.31)
SCHEMBL25017615 0.73 HDAC4 (0.35)
SCHEMBL25017523 0.73 KDM4E (0.31)
SCHEMBL25017155 0.73 KDM4E (0.31)
SCHEMBL25018136 0.72 HDAC4 (0.34)
SCHEMBL25017950 0.72 KDM4E (0.30)
SCHEMBL22672450 0.71 GPR84 (0.38)
SCHEMBL20878703 0.70 NOTUM (0.35) NOTUM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253013-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-04-09 US disclosed
US-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 US disclosed
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-06 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 (2 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-10253013-B2 Selective matrix metalloproteinase inhibitors MMP14, MMP9, MMP13 NOTUM 3181/4885SPHK1 1111/4885OPRM1 3738/4885
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 NOTUM 3181/4885SPHK1 1111/4885OPRM1 3738/4885

“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.