SCHEMBL9955475

SCHEMBL9955475

O=C1CCCc2nc(Nc3cccc(Cl)c3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 1.00
MAOB P27338 5/20 1.00
MAOA P21397 3/20 1.00
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
G6PD P11413 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SYK P43405 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CDK1 P06493 1/20 0.47

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
SCHEMBL23657061 0.98 GRM5 (0.95) GRM5MAOBMAOANPC1RAB9A
SCHEMBL9955702 0.85 GRM5 (1.00) GRM5MAOBMAOANPC1RAB9A
SCHEMBL23657016 0.85 GRM5 (0.74) GRM5MAOBMAOANPC1RAB9A
SCHEMBL23657015 0.85 GRM5 (0.74) GRM5MAOBMAOANPC1RAB9A
SCHEMBL26723834 0.85 GRM5 (1.00) GRM5MAOBMAOANPC1RAB9A
SCHEMBL9955104 0.85 GRM5 (1.00) GRM5MAOBMAOANPC1RAB9A
SCHEMBL26723821 0.84 GRM5 (0.76) GRM5MAOBMAOANPC1RAB9A
SCHEMBL23657014 0.83 GRM5 (0.95) GRM5MAOBMAOANPC1RAB9A
SCHEMBL23656931 0.82 GRM5 (0.70) GRM5MAOBMAOANPC1RAB9A
SCHEMBL23656939 0.82 GRM5 (0.73) GRM5MAOBMAOANPC1RAB9A

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
WO-2021146543-A1 INHIBITORS OF GLUCOSE-6-PHOSPHATE DEHYDROGENASE AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-07-22 WO disclosed
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 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.