SCHEMBL19079461

SCHEMBL19079461

NCCCNc1ccc(NC(=O)c2cc(C3CC3)on2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.61
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
STAT1 P42224 4/20 0.55
SCD O00767 1/20 0.53
SCD5 Q86SK9 1/20 0.53
STAT3 P40763 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL19079462 0.93 SMYD3 (0.60) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079459 0.86 HDAC3 (0.57) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079468 0.85 SMYD3 (0.55) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079187 0.83 RAB9A (0.59) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079456 0.83 SMYD3 (0.65) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079166 0.83 RAB9A (0.61) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079460 0.83 RAB9A (0.61) SMYD3NPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL17594620 0.82 SMYD3 (0.64) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL17594445 0.81 RAB9A (0.65) SMYD3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19079499 0.81 SMYD3 (0.53) SMYD3NPC1RAB9ATP53SMN1; SMN2

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 SMYD3 1/4885NPC1 3888/4885RAB9A 759/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 SMYD3 1/4885NPC1 3888/4885RAB9A 759/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 SMYD3 1/4885NPC1 3842/4885RAB9A 705/4885

“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.