SCHEMBL21296860

SCHEMBL21296860

O=C(O)c1nn[nH]c1Sc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PIN1 Q13526 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
CTRC Q99895 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL21312823 0.91 ALDH1A1 (0.37) KDM4ELMNATP53PIN1CYP1A2
SCHEMBL21312388 0.88 HAO1 (0.38) HAO1CTRCDHODH
SCHEMBL21296949 0.88 ALPL (0.42) KDM4ERAB9AMAPK1HAO1CTRC
SCHEMBL21312707 0.88 RHEB (0.39) LMNAPTPN1HAO1CTRCMEN1
SCHEMBL21312773 0.88 HAO1 (0.50) KDM4ENPC1RAB9AHAO1CTRC
SCHEMBL21312713 0.85 ALPL (0.42) KDM4ENPC1RAB9AHAO1CTRC
SCHEMBL24154469 0.85 RXRA (0.37) TP53NPC1RAB9ACYP1A2HAO1
SCHEMBL22772781 0.85 HAO1 (0.33) HAO1CTRC
SCHEMBL22772729 0.85 KIF11 (0.42) KDM4ELMNANPC1RAB9AMAPK1
SCHEMBL21312391 0.85 MAOA (0.41) HAO1

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 3780/4885LMNA 3347/4885TP53 3961/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX KDM4E 3780/4885LMNA 3347/4885TP53 3961/4885

“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.