SCHEMBL21998672

SCHEMBL21998672

Bc1cc(C(=O)NCCCN)ccc1NC(=O)c1cc(C2CC2)on1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 13/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
STAT3 P40763 1/20 0.49
STAT1 P42224 1/20 0.49
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL19079503 0.88 SMYD3 (0.53) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL19079510 0.88 SMYD3 (0.53) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL19079509 0.82 RAB9A (0.53) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL19079497 0.82 SMYD3 (0.52) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL19079484 0.82 STAT1 (0.57) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL17594849 0.78 SMYD3 (0.66) SMYD3HDAC3HDAC1RAB9ANPC1
Hydrochloric Acid SCHEMBL17594406 0.77 SMYD3 (0.65) SMYD3HDAC3HDAC1RAB9ANPC1
SCHEMBL19079499 0.77 SMYD3 (0.53) SMYD3HDAC3HDAC1STAT1RAB9A
SCHEMBL19079469 0.76 STAT1 (0.59) SMYD3HDAC3HDAC1STAT3STAT1
SCHEMBL19079461 0.75 SMYD3 (0.61) SMYD3STAT3STAT1RAB9ASMN1; 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 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 SMYD3 1/4885HDAC3 318/4885HDAC1 446/4885

“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.