SCHEMBL21296982

SCHEMBL21296982

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1cccc(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.43
AKR1C3 P42330 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
UCHL1 P09936 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29799202 1.00 CYP19A1 (0.45) CYP19A1NPC1RAB9ATDP1MAPT
SCHEMBL22816877 0.91 CYP19A1 (0.47) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL28047047 0.90 CYP19A1 (0.50) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL21296988 0.89 NPC1 (0.48) NPC1RAB9ATDP1MAPTAKR1C3
SCHEMBL23001814 0.87 CYP19A1 (0.47) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL29692421 0.87 CYP19A1 (0.55) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL21296973 0.87 CYP19A1 (0.55) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL29692354 0.87 CYP19A1 (0.47) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL22795533 0.86 CYP19A1 (0.57) CYP19A1MAPTAKR1C3SMN1; SMN2POLB
SCHEMBL18241057 0.85 CYP19A1 (0.45) CYP19A1MAPTAKR1C3SMN1; SMN2POLB

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 CYP19A1 1777/4885NPC1 1529/4885RAB9A 2533/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX CYP19A1 1777/4885NPC1 1529/4885RAB9A 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.