SCHEMBL23453736

SCHEMBL23453736

COc1ccc(CN(c2ccc(-c3ccc(C#N)cc3)cc2)c2c(C(=O)O)n[nH]c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SNCA P37840 1/20 0.43
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ LTB4R2 Q9NPC1 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
SCHEMBL22609348 0.92 PRKAG1 (0.45) POLBMAPTSNCAPRKAG1PRKAA1
SCHEMBL23486291 0.82 LMNA (0.44) MAPTALDH1A1LMNANPSR1
SCHEMBL23453710 0.72 — —
SCHEMBL6799479 0.71 CYP19A1 (0.50) POLBMAPTSNCAVNN1
SCHEMBL22609357 0.70 KDM4E (0.36) SNCAALDH1A1
SCHEMBL22609358 0.69 CTSS (0.34) SNCAALDH1A1CTSSCTSK
SCHEMBL18974850 0.67 SCN9A (0.42) POLBMAPTSNCATHRBPTGER4
SCHEMBL23453723 0.67 AR (0.44) —
SCHEMBL22293031 0.67 SNCA (0.39) POLBMAPTSNCATHRBVNN1
SCHEMBL6800102 0.67 CYP19A1 (0.60) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 — — US 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 (1 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-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS POLB 1927/4885MAPT 2376/4885SNCA 4855/4885

“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.

Send feedback