SCHEMBL19079484

SCHEMBL19079484

NCCCNC(=O)c1cccc(NC(=O)c2cc(C3CC3)on2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 4/20 0.57
SMYD3 Q9H7B4 11/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SCD O00767 1/20 0.50
SCD5 Q86SK9 1/20 0.50
STAT3 P40763 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
SCHEMBL19079469 0.94 STAT1 (0.59) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL19079503 0.82 SMYD3 (0.53) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL21998672 0.82 SMYD3 (0.53) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL19079510 0.82 SMYD3 (0.53) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL19079499 0.82 SMYD3 (0.53) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL19079491 0.82 STAT1 (0.56) STAT1SMYD3HDAC3HDAC1NPC1
SCHEMBL19079471 0.81 STAT1 (0.54) STAT1SMYD3NPC1RAB9ATP53
SCHEMBL19079461 0.81 SMYD3 (0.61) STAT1SMYD3NPC1RAB9ATP53
SCHEMBL17594849 0.80 SMYD3 (0.66) SMYD3HDAC3HDAC1NPC1RAB9A
Hydrochloric Acid SCHEMBL17594406 0.79 SMYD3 (0.65) SMYD3HDAC3HDAC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
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
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 (3 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 STAT1 872/4885SMYD3 1/4885HDAC3 410/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 STAT1 872/4885SMYD3 1/4885HDAC3 410/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 STAT1 828/4885SMYD3 1/4885HDAC3 318/4885

“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.