SCHEMBL22286203

SCHEMBL22286203

CCn1nc(C)c(C(=O)OCC(=O)c2ccccc2OC)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 4/20 0.43
ALOX15 P16050 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL22286193 0.87 MAPK1 (0.55) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL20551379 0.86 MAPK1 (0.57) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL20552064 0.83 MAPK1 (0.51) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL22286173 0.82 MAPK1 (0.49) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL20551541 0.80 MAPK1 (0.45) MAPK1ALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL20551835 0.80 HPGD (0.47) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL22286153 0.79 MAPK1 (0.53) MAPK1ALDH1A1KMT2AHTTNPC1
SCHEMBL22286135 0.79 KMT2A (0.54) MAPK1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL20552038 0.79 MAPK1 (0.46) MAPK1ALDH1A1L3MBTL1KMT2AHTT
SCHEMBL20551486 0.76 MAPK1 (0.45) MAPK1ALDH1A1L3MBTL1KMT2AHTT

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 943/4885ALDH1A1 467/4885L3MBTL1 4638/4885

“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.