SCHEMBL21296874

SCHEMBL21296874

Cc1ccc(Nc2[nH]nnc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39
NMT1 P30419 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
P2RY14 Q15391 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
SCHEMBL10983928 0.85 MAPT (0.40) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL21296895 0.84 AKR1C3 (0.47) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL22795573 0.83 ALDH1A1 (0.41) KDM4EGAAEGFRP2RY14
SCHEMBL21296876 0.81 CASP3 (0.48) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11340745 0.75 EP300 (0.42) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL23001832 0.72 HAO1 (0.65) NPC1
SCHEMBL22772699 0.71 RAB9A (0.41) SMN1; SMN2KMT2AKDM4ENPC1MAPT
SCHEMBL21312466 0.71 RAB9A (0.41) SMN1; SMN2KMT2AKDM4ENPC1MAPT
SCHEMBL23001720 0.71 MAPT (0.50) MEN1KMT2AKDM4EMAPT
SCHEMBL21296965 0.69 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAANPC1HPGD

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 290/4885SMN1; SMN2 3163/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX AKR1C3 334/4885AKR1C2 290/4885SMN1; SMN2 3163/4885

“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.