SCHEMBL537448

SCHEMBL537448

CN(C)C(=O)c1cc(O)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
BAZ2B Q9UIF8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
NQO2 P16083 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4A O75164 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAP3K14 Q99558 1/20 0.31
PLA2G10 O15496 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
SCHEMBL30479179 0.82 MALT1 (0.42) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL8574212 0.81 BAZ2B (0.58) MALT1BAZ2BALDH1A1NPC1RAB9A
SCHEMBL20528966 0.79 MALT1 (0.40) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL30793123 0.79 MALT1 (0.40) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL2386056 0.79 KDM4E (0.51) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL31460285 0.79 MALT1 (0.40) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL31739403 0.79 MALT1 (0.38) MALT1BAZ2BALDH1A1NQO2NPC1
SCHEMBL17522579 0.78 BAZ2B (0.40) BAZ2BALDH1A1KMT2AKDM4EMEN1
SCHEMBL2152111 0.78 HCAR2 (0.41) BAZ2BALDH1A1KDM4EGRNSORT1
SCHEMBL4751927 0.76 PLA2G10 (0.49) BAZ2BALDH1A1KDM4EL3MBTL1PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659683-B Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2014-11-12 CN disclosed
CN-1938278-B Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO 2012-12-12 CN disclosed
CN-102659683-A Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2012-09-12 CN disclosed
CN-101384556-B Process for producing 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO 2012-06-20 CN disclosed
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
CN-101384556-A Process for producing 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL IND CO (JP) 2009-03-11 CN disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
CN-1938278-A Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO (JP) 2007-03-28 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 (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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 MALT1 3846/4885BAZ2B 2378/4885ALDH1A1 175/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 MALT1 3470/4885BAZ2B 3317/4885ALDH1A1 168/4885

“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.