SCHEMBL4412173

SCHEMBL4412173

NCCCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
CPB2 Q96IY4 2/20 0.36
EGFR P00533 2/20 0.35
CPB1 P15086 1/20 0.35

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
SCHEMBL7016796 0.95 L3MBTL1 (0.45) L3MBTL1ALDH1A1PKMTAAR1LMNA
SCHEMBL31303986 0.90 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1LMNA
Trifluoroacetic Acid SCHEMBL29174401 0.88 L3MBTL1 (0.43) L3MBTL1ALDH1A1PKMTAAR1CPB2
SCHEMBL14696607 0.86 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1LMNA
SCHEMBL28813221 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMTAAR1LMNA
SCHEMBL19406117 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMTAAR1LMNA
SCHEMBL27972864 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL9730065 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1PKMTAAR1LMNA
SCHEMBL28281482 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL28281549 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 L3MBTL1 4026/4885ALDH1A1 706/4885PKM 2602/4885

“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.