SCHEMBL3434974

SCHEMBL3434974

CCC(C)c1ccc(C(=O)NC)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.56
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC2 Q92769 1/20 0.52
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CA2 P00918 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL13656129 0.85 HDAC6 (0.71) HDAC8HDAC6HDAC2TSHRSMN1; SMN2
SCHEMBL29200670 0.84 PLK1 (0.50) PLK1HDAC8HDAC6HDAC2TSHR
SCHEMBL11990190 0.84 MLYCD (0.53) HDAC8HDAC6TSHRSMN1; SMN2HPGD
SCHEMBL13345377 0.84 HDAC8 (0.50) HDAC8HDAC6TSHRSMN1; SMN2HPGD
SCHEMBL20032263 0.83 HDAC8 (0.73) PLK1HDAC8HDAC6HDAC2TSHR
SCHEMBL25141888 0.81 HDAC8 (0.49) PLK1HDAC8HDAC6HDAC2TSHR
SCHEMBL11466438 0.81 PLK1 (0.47) PLK1HDAC8HDAC6HDAC2TSHR
SCHEMBL20413842 0.80 HDAC8 (0.44) HDAC8HDAC6TSHRSMN1; SMN2NPC1
SCHEMBL105171 0.80 HDAC6 (0.59) PLK1HDAC8HDAC6HDAC2TSHR
SCHEMBL9101659 0.80 ALDH1A1 (0.53) HDAC8HDAC6TSHRSMN1; SMN2HPGD

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-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-05 US disclosed
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PLK1 532/4885HDAC8 1899/4885HDAC6 312/4885
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF NUDT1, RNMT, ADAR PLK1 2287/4885HDAC8 2065/4885HDAC6 2599/4885
US-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR PLK1 2287/4885HDAC8 2065/4885HDAC6 2599/4885

“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.