SCHEMBL21296912

SCHEMBL21296912

Oc1cncc(-c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
CYP19A1 P11511 2/20 0.58
MKNK1 Q9BUB5 5/20 0.53
MKNK2 Q9HBH9 5/20 0.53
EGFR P00533 1/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
HSD17B1 P14061 1/20 0.52
MEN1 O00255 1/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL19810177 0.85 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL30586094 0.84 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL30586096 0.84 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL21808801 0.84 CYP2A6 (0.79) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL1026845 0.83 CYP11B1 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL29567050 0.83 CYP11B1 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL30295066 0.83 CYP11B1 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
SCHEMBL1026676 0.83 HSD17B1 (0.55) CYP3A4CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL12068475 0.82 CYP2A6 (0.75) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1
Bromide SCHEMBL7553957 0.82 CYP11B1 (0.66) CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1

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 CYP2A6 1089/4885CYP3A4 2004/4885ALDH1A1 543/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX CYP2A6 1089/4885CYP3A4 2004/4885ALDH1A1 543/4885

“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.