SCHEMBL12778136

SCHEMBL12778136

CN/C(=N\C#N)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.31
MMP8 P22894 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
SCHEMBL23896833 0.83
SCHEMBL6960468 0.81 KDM1A (0.32) CYP2C19
SCHEMBL14773217 0.77
SCHEMBL11477580 0.77
SCHEMBL25761105 0.77
SCHEMBL13670700 0.77
SCHEMBL9353816 0.75
SCHEMBL16259082 0.75 CYP2D6 (0.38) CYP2D6CYP2C19MMP1MMP8
SCHEMBL24961919 0.75
SCHEMBL9353813 0.75

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-20220017566-A1 TERPINOID DERIVATIVES AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC 2022-01-20 US disclosed
WO-2021202720-A1 USE OF TRITERPENOID NRF2 INHIBITORS FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2021-10-07 WO disclosed
WO-2020068689-A1 TERPINOID DERIVATIVES AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-04-02 WO disclosed
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 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-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING OXER1, ALOX12, CYP1A1 CYP2D6 49/4885CYP2C19 266/4885MMP1 2108/4885
US-20220017566-A1 TERPINOID DERIVATIVES AND USES THEREOF KEAP1, PTGES, GSTK1 CYP2D6 2825/4885CYP2C19 2773/4885MMP1 3283/4885

“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.