SCHEMBL21451580

SCHEMBL21451580

CCOC(=O)C(=N)c1nn(Cc2ccc(OC)cc2)c(-c2ccc(F)cc2)c1C(C)(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASIC1 P78348 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CACNA1G O43497 1/20 0.36
MAPT P10636 3/20 0.35
CTSL P07711 2/20 0.35
MKNK2 Q9HBH9 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNK3 O14649 1/20 0.34
ACHE P22303 1/20 0.33
BRD4 O60885 1/20 0.33
CTSB P07858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL17777810 0.88 ASIC1 (0.36) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL19711705 0.86 KCNK3 (0.40) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL17777908 0.85 ASIC1 (0.37) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL17777930 0.79 KCNK3 (0.38) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL17777971 0.79 KCNK3 (0.39) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL25632913 0.76 KCNK3 (0.37) ASIC1MEN1KMT2ALMNAALDH1A1
SCHEMBL17777768 0.76 PTGDR2 (0.36) KMT2ALMNAALDH1A1MAPTMKNK2
SCHEMBL17777764 0.72 PTGDR2 (0.42) MEN1KMT2AALDH1A1MAPTMKNK2
SCHEMBL22824585 0.69 PTGDR2 (0.38) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL19702814 0.69 PTGDR2 (0.35) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308977-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2019-10-10 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-20190308977-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS ASIC1 4848/4885MEN1 285/4885KMT2A 1573/4885

“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.