SCHEMBL24499004

SCHEMBL24499004

C#Cc1nc(C(=O)NCCc2ccc(N)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HIF1A Q16665 2/20 0.52
ESRRG P62508 1/20 0.45
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RCE1 Q9Y256 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ADORA2B P29275 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL24498833 0.88 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24498829 0.87 HIF1A (0.68) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24498363 0.87 HDAC3 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29698384 0.86 HIF1A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24498986 0.86 HIF1A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24498978 0.85 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL24498998 0.83 HIF1A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL27177745 0.83 HIF1A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL27177602 0.83 HIF1A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL27177766 0.83 RAB9A (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
EP-4255903-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Eubulus Biotherapeutics Inc. (CN) 2023-10-11 EP claimed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
EP-4255903-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Eubulus Biotherapeutics Inc. (CN) 2023-10-11 EP disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 HDAC1 105/4885HDAC6 91/4885HDAC3 83/4885

“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.