SCHEMBL537642

SCHEMBL537642

CCOC(=O)c1cc(O)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.54
GABRA2 P47869 3/20 0.53
GABRB2 P47870 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
FAAH O00519 2/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
CA9 Q16790 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL16613223 0.89 KMT2A (0.56) CHRNA7KMT2ALMNATP53GAA
SCHEMBL5676831 0.88 CHRNA7 (0.61) CHRNA7KMT2ALMNATP53KDM4E
SCHEMBL7268 0.87 KMT2A (0.68) KMT2ALMNATP53GAAMEN1
SCHEMBL18542682 0.86 KMT2A (0.54) CHRNA7KMT2ALMNATP53GAA
SCHEMBL28625965 0.86 KMT2A (0.67) KMT2ALMNATP53GAAMEN1
SCHEMBL11656484 0.85 CHRNA7 (0.62) CHRNA7KMT2ALMNATP53KDM4E
SCHEMBL537295 0.85 KMT2A (0.56) KMT2ALMNATP53GAAMEN1
SCHEMBL16797270 0.84 KMT2A (0.52) KMT2ATP53KDM4EGAAMEN1
SCHEMBL30979680 0.84 CHRNA7 (0.58) CHRNA7KMT2ALMNATP53KDM4E
SCHEMBL21350911 0.83 KMT2A (0.57) KMT2ALMNATP53GAAMEN1

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 14 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
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP 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 CHRNA7 1988/4885KMT2A 841/4885LMNA 1693/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 CHRNA7 3718/4885KMT2A 1779/4885LMNA 4841/4885

“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.