SCHEMBL22490815

SCHEMBL22490815

O=C(O)NC1(c2csc(Br)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ EPHX2 P34913 1/20 0.31
▸ GPR142 Q7Z601 1/20 0.31
▸ PTGFR P43088 1/20 0.30

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
SCHEMBL24088650 0.78 AKT1 (0.33) —
SCHEMBL22490785 0.74 PDE5A (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22490776 0.72 CTPS1 (0.44) —
SCHEMBL12614953 0.70 HCAR3 (0.44) —
SCHEMBL24716805 0.69 HDAC3 (0.31) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19900788 0.68 — —
SCHEMBL21044072 0.67 HDAC1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22981913 0.66 BAZ2A (0.33) HDAC1
SCHEMBL28789041 0.66 NPC1 (0.36) HDAC1HDAC3HDAC2HDAC6
SCHEMBL23573214 0.65 ALDH1A1 (0.40) EPHX2

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-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 — — US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 — — US disclosed
EP-3717465-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2020-10-07 — — EP 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 (2 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 HDAC1 552/4885HDAC3 843/4885HDAC4 2152/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 HDAC1 552/4885HDAC3 843/4885HDAC4 2152/4885

“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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