SCHEMBL20552140

SCHEMBL20552140

Cn1nc(C(F)(F)F)c(C(=O)OCC(=O)c2ccncc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 6/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.39
AGTR1 P30556 2/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
POLB P06746 2/20 0.37
GLA P06280 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
SCHEMBL20552377 0.89 LMNA (0.46) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL20551667 0.88 CYP1A2 (0.46) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL20550873 0.87 NPC1 (0.54) L3MBTL1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL22286177 0.85 HTT (0.45) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL20552360 0.83 LMNA (0.35) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL20551655 0.80 LMNA (0.48) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL20551517 0.79 ALDH1A1 (0.47) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL4625129 0.78 KDM4E (0.47) KDM4ELMNAKMT2AALDH1A1MAPT
SCHEMBL20550832 0.78 LMNA (0.47) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL20551307 0.78 CYP1A2 (0.40) L3MBTL1LMNAKMT2AMEN1ALDH1A1

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 L3MBTL1 4638/4885KDM4E 4117/4885LMNA 3874/4885

“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.