SCHEMBL20550873

SCHEMBL20550873

COc1ccc(C(=O)COC(=O)c2c(C(F)(F)F)nn(C)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR2 Q92731 1/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.43
KLF10 Q13118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL20552377 0.89 LMNA (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL20551667 0.88 CYP1A2 (0.46) NPC1RAB9AMEN1KMT2AESR2
SCHEMBL20552140 0.87 L3MBTL1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20551778 0.85 POLB (0.43) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL20551704 0.85 POLB (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22286147 0.84 KMT2A (0.41) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL22286107 0.84 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL22286177 0.81 HTT (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20551655 0.78 LMNA (0.48) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL20551517 0.77 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AGAA

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-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
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 NPC1 1059/4885RAB9A 2066/4885MEN1 4712/4885

“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.