SCHEMBL22286107

SCHEMBL22286107

COc1ccc(C(=O)COC(=O)c2c(C(F)(F)F)nn(C)c2N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
RAB9A P51151 4/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
PTGER4 P35408 1/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL22286147 0.92 KMT2A (0.41) SMN1; SMN2POLBKMT2AMEN1GAA
SCHEMBL20551704 0.89 POLB (0.54) SMN1; SMN2POLBKMT2AMEN1L3MBTL1
SCHEMBL20551778 0.89 POLB (0.43) SMN1; SMN2POLBKMT2AMEN1GAA
SCHEMBL20552118 0.88 LMNA (0.45) SMN1; SMN2KMT2AMEN1GAAL3MBTL1
SCHEMBL20550732 0.86 POLB (0.45) SMN1; SMN2POLBKMT2AMEN1L3MBTL1
SCHEMBL20551517 0.85 ALDH1A1 (0.47) SMN1; SMN2POLBKMT2AMEN1GAA
SCHEMBL20551487 0.84 POLB (0.43) SMN1; SMN2POLBKMT2AMEN1L3MBTL1
SCHEMBL20552360 0.84 LMNA (0.35) SMN1; SMN2POLBKMT2AMEN1L3MBTL1
SCHEMBL20550873 0.84 NPC1 (0.54) SMN1; SMN2KMT2AMEN1GAAL3MBTL1
SCHEMBL20551307 0.83 CYP1A2 (0.40) SMN1; SMN2POLBKMT2AMEN1GAA

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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 SMN1; SMN2 3077/4885POLB 560/4885KMT2A 3820/4885

“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.