SCHEMBL21932437

SCHEMBL21932437

Cc1onc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ BRD4 O60885 3/20 0.56
▸ BRD2 P25440 1/20 0.56
▸ PTGS2 P35354 9/20 0.54
▸ PTGS1 P23219 7/20 0.54
▸ PTPN1 P18031 1/20 0.50
▸ TDO2 P48775 1/20 0.49
▸ MT-CO2 P00403 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48

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
SCHEMBL1463375 0.86 PTPN1 (0.67) MEN1GAAKMT2ABRD4BRD2
SCHEMBL31301253 0.83 PTPN1 (0.53) MEN1GAAKMT2ABRD4BRD2
SCHEMBL14072057 0.81 BRD4 (0.59) MEN1GAAKMT2ABRD4PTGS1
SCHEMBL21932440 0.77 PTPN1 (0.54) MEN1GAAKMT2ABRD4PTGS1
SCHEMBL903110 0.73 KMT2A (1.00) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL8784588 0.73 MAP4K4 (0.69) MEN1GAAKMT2ABRD4BRD2
SCHEMBL9069238 0.73 BRD4 (0.66) MEN1GAAKMT2ABRD4BRD2
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.72 BRD4 (1.00) BRD4BRD2PTGS2PTGS1TDO2
Hydrochloric Acid SCHEMBL30684473 0.72 KMT2A (0.97) MEN1GAAKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL30684542 0.72 KMT2A (0.97) MEN1GAAKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 — — 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-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 MEN1 3153/4885GAA 2747/4885KMT2A 551/4885

“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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