SCHEMBL21296870

SCHEMBL21296870

CCOC(=O)c1nn[nH]c1Nc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TARBP2 Q15633 2/20 0.45
PDCD4 Q53EL6 1/20 0.45
HTT P42858 1/20 0.44
MAPK10 P53779 1/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL21296876 0.88 CASP3 (0.48) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL23001720 0.86 MAPT (0.50) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL22795376 0.85 ALDH1A1 (0.43) KDM4EALDH1A1POLBMAPTRAB9A
SCHEMBL21296895 0.83 AKR1C3 (0.47) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL23002061 0.77 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL31144590 0.77 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL23002100 0.76 HAO1 (0.51) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL21296967 0.75 NPC1 (0.48) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5412265 0.74 MAPT (0.67) ALDH1A1POLBMAPTSMN1; SMN2RAB9A
SCHEMBL28429344 0.72 TP53 (0.67) KDM4EALDH1A1POLBMAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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 (2 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX KDM4E 3780/4885ALDH1A1 543/4885POLB 1966/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX KDM4E 3780/4885ALDH1A1 543/4885POLB 1966/4885

“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.