SCHEMBL23728280

SCHEMBL23728280

O=C(O)Nc1ccc(C2CSC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
DEGS1 O15121 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
RCOR1 Q9UKL0 2/20 0.37
KDM1B Q8NB78 1/20 0.37

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
SCHEMBL23728304 0.80 HDAC3 (0.41) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL27091789 0.79 HDAC8 (0.55) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL11215485 0.78 HDAC8 (0.62) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL15420541 0.78 HDAC3 (0.42) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL23728301 0.76 ALDH1A1 (0.42) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL23727639 0.76 PSMB8 (0.46)
SCHEMBL21224957 0.75 ESR2 (0.58) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL23728191 0.75 HDAC3 (0.41) HDAC3HDAC11HDAC8HDAC6JAK3
SCHEMBL10778839 0.74 SMN1; SMN2 (0.52) NPC1RAB9APOLBTP53TSHR
SCHEMBL13505339 0.73 JAK3 (0.76) JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 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 (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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 HDAC3 50/4885HDAC11 45/4885HDAC8 278/4885

“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.