SCHEMBL24700147

SCHEMBL24700147

CCN(I)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA14 Q9ULX7 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DGAT1 O75907 1/20 0.32
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL23556199 0.82 CA14 (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL25794000 0.79 CA12 (0.38) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL24685880 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL3940725 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL17993754 0.78 CA14 (0.40) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL14300394 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL1962792 0.76 MEN1 (0.45) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL12160052 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL25036963 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL18329838 0.75 MAPK1 (0.34) HDAC6HDAC1HDAC2CA14CA12

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 HDAC6 75/4885HDAC1 230/4885HDAC2 157/4885

“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.