SCHEMBL21296895

SCHEMBL21296895

COc1ccc(Nc2[nH]nnc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 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
SCHEMBL21296874 0.84 AKR1C3 (0.41) AKR1C3AKR1C2NPC1GAAMAPT
SCHEMBL21296870 0.83 KDM4E (0.51) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL10983928 0.82 MAPT (0.40) AKR1C3AKR1C2RAB9ANPC1ALDH1A1
SCHEMBL22795573 0.79 ALDH1A1 (0.41) ALDH1A1GAAKDM4E
SCHEMBL21296956 0.75 HAO1 (0.52) THRBHAO1ALPLCA9PRKAG1
SCHEMBL6330176 0.73 PRKAG1 (0.47) AKR1C3AKR1C2RAB9ANPC1ALDH1A1
SCHEMBL22772778 0.73 THRB (0.49) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL21312491 0.73 THRB (0.49) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL21296847 0.71 PRKAG1 (0.51) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL21296943 0.71 CA1 (0.45) RAB9ANPC1ALDH1A1HTTKDM4E

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 AKR1C3 334/4885AKR1C2 290/4885RAB9A 2533/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX AKR1C3 334/4885AKR1C2 290/4885RAB9A 2533/4885

“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.