SCHEMBL14215419

SCHEMBL14215419

COC(=O)C1(c2csc(C)n2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ABHD16A O95870 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ECE1 P42892 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21044072 0.85 HDAC1 (0.39) HDAC1KMT2AMAPK1MEN1NPSR1
SCHEMBL11922827 0.83 AKR1C1 (0.41) HDAC1KMT2AMAPK1MEN1NPSR1
SCHEMBL5516039 0.81 TLR7 (0.36) HDAC1KMT2AMAPK1MEN1ABHD16A
SCHEMBL21076995 0.77 CTPS1 (0.41) NPSR1NPC1RAB9A
SCHEMBL20640304 0.77 MEN1 (0.50) KMT2AMAPK1MEN1NPC1RAB9A
SCHEMBL21076997 0.76 RAB9A (0.34) HDAC1NPSR1GAANPC1RAB9A
SCHEMBL12002672 0.74 MAPK1 (0.36) HDAC1KMT2AMAPK1MEN1NPSR1
SCHEMBL2588976 0.73 LMNA (0.35) KMT2AMAPK1MEN1NPSR1GAA
SCHEMBL22869122 0.72 PDE5A (0.38) HDAC1KMT2AMAPK1MEN1ALDH1A1
SCHEMBL32663074 0.71 CTPS1 (0.43) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 — — 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HDAC1 854/4885KMT2A 2206/4885MAPK1 1122/4885

“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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