SCHEMBL23656990

SCHEMBL23656990

O=C1CCCCc2nc(Nc3ccccc3)ncc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.71
MAOB P27338 6/20 0.71
MAOA P21397 5/20 0.71
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA9 Q16790 1/20 0.65
CDK5 Q00535 1/20 0.65
CDK5R1 Q15078 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TSHR P16473 1/20 0.64
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
CCNA2 P20248 3/20 0.59
CDK2 P24941 3/20 0.59
G6PD P11413 1/20 0.58
MEN1 O00255 1/20 0.53

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
SCHEMBL26723821 0.97 GRM5 (0.76) GRM5MAOBMAOACA1CA2
SCHEMBL23656973 0.86 GRM5 (0.95) GRM5MAOBMAOACA1CA2
SCHEMBL23657038 0.86 GRM5 (0.72) GRM5MAOBMAOACA1CA2
SCHEMBL23657033 0.86 GRM5 (0.72) GRM5MAOBMAOACA1CA2
SCHEMBL23657027 0.86 GRM5 (0.72) GRM5MAOBMAOACA1CA2
SCHEMBL23656974 0.86 GRM5 (0.72) GRM5MAOBMAOACA1CA2
SCHEMBL23657061 0.84 GRM5 (0.95) GRM5MAOBMAOACA1CA2
SCHEMBL23657014 0.84 GRM5 (0.95) GRM5MAOBMAOACA1CA2
SCHEMBL23657031 0.84 GRM5 (0.69) GRM5MAOBMAOACA1CA2
SCHEMBL9955104 0.83 GRM5 (1.00) GRM5MAOBMAOACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348401-A1 Inhibitors of Glucose-6-phosphate Dehydrogenase and Uses Thereof THE TRUSTEES OF PRINCETON UNIVERSITY 2023-11-02 US disclosed
US-20230348401-A1 Inhibitors of Glucose-6-phosphate Dehydrogenase and Uses Thereof THE TRUSTEES OF PRINCETON UNIVERSITY 2023-11-02 US disclosed
WO-2021146543-A1 INHIBITORS OF GLUCOSE-6-PHOSPHATE DEHYDROGENASE AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-07-22 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 (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-20230348401-A1 Inhibitors of Glucose-6-phosphate Dehydrogenase and Uses Thereof G6PD, UGDH, GPI GRM5 1633/4885MAOB 709/4885MAOA 612/4885

“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.