SCHEMBL3577523

SCHEMBL3577523

COCNC(=O)c1cc(F)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK14 Q16539 3/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SPR P35270 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
SCHEMBL23952546 0.79 KDM4E (0.50) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL1298467 0.75 BAZ2B (0.54) ALDH1A1MEN1KMT2AGAABAZ2B
SCHEMBL3262786 0.71 HDAC3 (0.57) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6343179 0.70 KDM4E (0.56) MEN1KMT2AKDM4EGAA
SCHEMBL17706105 0.69 — —
SCHEMBL13383878 0.69 HPGD (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL15287084 0.68 GABRP (0.49) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL12492441 0.68 BAZ2B (0.39) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3577528 0.68 KMT2A (0.41) ALDH1A1L3MBTL1KMT2ABAZ2BBAZ2A
SCHEMBL2204173 0.68 NPC1 (0.57) ALDH1A1MEN1KMT2AKDM4EGAA

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
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 — — EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 — — 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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 4006/4885L3MBTL1 2334/4885MEN1 4680/4885

“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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