SCHEMBL21454776

SCHEMBL21454776

COC(=O)c1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HDAC1 Q13547 6/20 0.69
HDAC6 Q9UBN7 5/20 0.69
RAB9A P51151 3/20 0.65
NPC1 O15118 1/20 0.65
HDAC3 O15379 4/20 0.64
HPGD P15428 1/20 0.62
TSHR P16473 2/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC8 Q9BY41 2/20 0.61
MAPK14 Q16539 1/20 0.61
LMNA P02545 2/20 0.60
EPHX2 P34913 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL4749069 0.95 KMT2A (0.74) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL2833527 0.90 KMT2A (0.68) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL4931020 0.88 TP53 (0.72) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL28684197 0.87 EPHX2 (0.68) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL13947386 0.87 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6245709 0.87 MEN1 (0.63) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2833468 0.86 MEN1 (0.67) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL18259860 0.86 KMT2A (0.63) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL4234328 0.86 MEN1 (0.63) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL4241219 0.86 MEN1 (0.63) MEN1KMT2ASMN1; SMN2HDAC1HDAC6

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
CN-115806503-A Selective histone deacetylase inhibitor as well as preparation method and application thereof 中国海洋大学 2023-03-17 CN disclosed
CN-115784986-A HDAC6 inhibitor and preparation method and application thereof 中国海洋大学 2023-03-14 CN disclosed
US-10870618-B2 Histone deacetylase inhibitors and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-12-22 US disclosed
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF MEDICAL UNIVERSITY OF SOUTH CAROLINA 2019-10-10 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-10870618-B2 Histone deacetylase inhibitors and uses thereof HDAC1, HDAC5, HDAC3 MEN1 2599/4885KMT2A 58/4885SMN1; SMN2 2579/4885
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC3 MEN1 2599/4885KMT2A 58/4885SMN1; SMN2 2579/4885

“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.