SCHEMBL19089989

SCHEMBL19089989

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CNC(O)c2cc(C3CC3)on2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 8/20 0.68
▸ DPP4 P27487 1/20 0.47
▸ SOS1 Q07889 5/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KRAS P01116 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ ARG1 P05089 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ TACR2 P21452 1/20 0.41
▸ TACR1 P25103 1/20 0.41

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
SCHEMBL19090245 1.00 SMYD3 (0.68) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19090248 0.89 SMYD3 (0.67) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19090244 0.89 SMYD3 (0.67) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19079334 0.86 SMYD3 (0.80) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19079348 0.86 SMYD3 (0.80) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19734019 0.81 SMYD3 (1.00) SMYD3SOS1KRAS
SCHEMBL19079333 0.80 SMYD3 (0.78) SMYD3DPP4MEN1KMT2AAKT1
SCHEMBL19079347 0.80 SMYD3 (0.78) SMYD3DPP4MEN1KMT2AAKT1
SCHEMBL19079332 0.79 SMYD3 (0.76) SMYD3DPP4SOS1MEN1KMT2A
SCHEMBL19079337 0.79 SMYD3 (0.76) SMYD3DPP4SOS1MEN1KMT2A

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
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 — — US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 — — 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 (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-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 SMYD3 1/4885DPP4 3140/4885SOS1 2324/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 SMYD3 1/4885DPP4 3140/4885SOS1 2324/4885

“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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