SCHEMBL23249796

SCHEMBL23249796

Cc1ncc(-c2cccc(=O)c(O)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.43
HDAC4 P56524 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC2 Q92769 2/20 0.42
EGLN1 Q9GZT9 1/20 0.40
APP P05067 1/20 0.38
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
MAP4K4 O95819 3/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DHFR P00374 1/20 0.36
MMP2 P08253 1/20 0.36
DBH P09172 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL23249811 0.83 HSD17B1 (0.42) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL29890188 0.83 HSD17B1 (0.42) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL23249830 0.83 MAP4K4 (0.58) COMTHDAC4HDAC8HDAC2APP
SCHEMBL27017954 0.82 MAP4K4 (0.43) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL23249859 0.82 FTO (0.51) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL29890423 0.80 VRK1 (0.45) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL23249808 0.80 MAP4K4 (0.63) COMTEGLN1MAP4K4KDM4E
SCHEMBL23249801 0.80 VRK1 (0.45) COMTHDAC4HDAC8HDAC2EGLN1
SCHEMBL23249831 0.80 KMT2A (0.37) COMTHDAC4HDAC8HDAC2KDM4E
SCHEMBL29891231 0.80 KMT2A (0.37) COMTHDAC4HDAC8HDAC2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 WO disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
EP-4045025-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2022-08-24 EP disclosed
WO-2021076945-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed
WO-2021076945-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TXNRD1, SDHB COMT 233/4885HDAC4 2098/4885HDAC8 2464/4885

“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.