SCHEMBL22048054

SCHEMBL22048054

O=C1CCC(c2ccc3ncccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.48
▸ POLB P06746 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42

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
SCHEMBL22857367 0.88 DDB1 (0.48) IDO1ALDH1A1CASP1HTTESR2
SCHEMBL29940279 0.87 IDO1 (0.57) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL28286305 0.87 IDO1 (0.57) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL17672031 0.84 BACE1 (0.55) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL11460811 0.83 BACE1 (0.58) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL31087555 0.83 BACE1 (0.58) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL5584437 0.81 IDO1 (0.50) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL25341263 0.80 IDO1 (0.49) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL22817216 0.80 IDO1 (0.52) IDO1POLBNPC1RAB9AALDH1A1
SCHEMBL22048070 0.80 PSMB5 (0.46) ALDH1A1KDM4EESR2SLC6A4

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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 — — US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 — — US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 — — WO disclosed
CN-111712490-A Amino-substituted pyridone derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-09-25 — — CN disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 — — 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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT IDO1 1318/4885POLB 870/4885NPC1 1158/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT IDO1 1318/4885POLB 870/4885NPC1 1158/4885

“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.

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