SCHEMBL22286173

SCHEMBL22286173

CCn1nc(C)c(C(=O)OCC(=O)c2cccc(F)c2F)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
LMNA P02545 6/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HBB P68871 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 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
SCHEMBL22286193 0.92 MAPK1 (0.55) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL22286153 0.89 MAPK1 (0.53) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20552038 0.88 MAPK1 (0.46) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20551372 0.84 MAPK1 (0.51) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL22286008 0.84 MAPK1 (0.43) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20551835 0.83 HPGD (0.47) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20551379 0.83 MAPK1 (0.57) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20551816 0.82 ALDH1A1 (0.43) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL20552064 0.82 MAPK1 (0.51) MAPK1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL22286203 0.82 MAPK1 (0.53) MAPK1LMNAKMT2ASMN1; SMN2HPGD

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 MAPK1 943/4885LMNA 3874/4885KMT2A 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.