SCHEMBL31162191

SCHEMBL31162191

Cc1ccsc1C(=O)NCc1nnc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ CCNE1 P24864 1/20 0.42

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
SCHEMBL31162105 0.85 NPC1 (0.48) KMT2AHDAC6NPC1RAB9AL3MBTL1
SCHEMBL31162023 0.83 KMT2A (0.46) KMT2AHDAC6NPC1RAB9AL3MBTL1
SCHEMBL31162019 0.83 HDAC6 (0.44) KMT2AHDAC6NPC1RAB9AHPGD
SCHEMBL3049318 0.79 KMT2A (0.66) KMT2ANPC1RAB9AL3MBTL1HPGD
SCHEMBL31162048 0.78 NPC1 (0.53) KMT2AHDAC6NPC1RAB9AL3MBTL1
SCHEMBL31162170 0.78 ALPG (0.50) KMT2AHDAC6NPC1RAB9AHPGD
SCHEMBL31161896 0.78 MMP12 (0.46) HDAC6NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31161932 0.77 POLB (0.56) KMT2AHDAC6NPC1RAB9AHPGD
SCHEMBL31161908 0.77 HDAC6 (0.45) KMT2AHDAC6NPC1RAB9AL3MBTL1
SCHEMBL31161997 0.77 MMP3 (0.49) KMT2AHDAC6NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — US claimed
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 — — 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 (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 KMT2A 1875/4885HDAC6 318/4885NPC1 706/4885

“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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