SCHEMBL31123983

SCHEMBL31123983

C#CC(=O)NCc1nnc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.49
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL31162048 0.74 NPC1 (0.53) HDAC6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL669951 0.73 GAA (0.53) HDAC6SMN1; SMN2MEN1KMT2AHDAC2
SCHEMBL31123994 0.73 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL31123960 0.73 HDAC6 (0.47) HDAC6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31162002 0.73 KMT2A (0.50) HDAC6NPC1RAB9AKDM4EKMT2A
SCHEMBL12473276 0.72 HDAC6 (0.48) HDAC6NPC1RAB9AKDM4EMEN1
SCHEMBL31161905 0.72 HDAC6 (0.46) HDAC6NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31162191 0.72 KMT2A (0.53) HDAC6NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11356966 0.71 HDAC6 (0.47) HDAC6NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12473329 0.70 MGAM (0.57) HDAC6NPC1RAB9ASMN1; SMN2MEN1

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
EP-4688161-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-02-11 — — EP disclosed
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — US disclosed
WO-2024206357-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-03 — — 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-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN HDAC6 318/4885NPC1 706/4885RAB9A 1811/4885

“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.

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