SCHEMBL21753378

SCHEMBL21753378

N#Cc1cnn(-c2ccc(C=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.46
KCNJ1 P48048 1/20 0.44
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN9A Q15858 1/20 0.37
EGFR P00533 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
GCGR P47871 1/20 0.36
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL1931670 0.84 CYP11B1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL20168317 0.80 KCNJ1 (0.49) ALDH1A1KDM4EKCNJ1CYP11B1CYP11B2
SCHEMBL28241532 0.78 MAOB (0.39) CYP11B1CYP11B2SCN9AGCGRNOTUM
SCHEMBL1682507 0.78 CA12 (0.47) SCN9AGCGRNOTUMGRM5
SCHEMBL4460639 0.78 EGLN1 (0.32) ALDH1A1SMN1; SMN2CYP11B1CYP11B2SCN9A
SCHEMBL2214866 0.78 GAA (0.53) SMN1; SMN2NPC1RAB9ANPSR1GRM5
SCHEMBL28358623 0.77 ALKBH1 (0.41) KCNJ1CYP11B1CYP11B2GRM5
SCHEMBL21525502 0.76 HPGDS (0.53) GCGR
SCHEMBL24409334 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL27659884 0.75 MELK (0.56) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP ALDH1A1 1182/4885KDM4E 2209/4885SMN1; SMN2 2473/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP ALDH1A1 1170/4885KDM4E 1934/4885SMN1; SMN2 2327/4885

“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.