SCHEMBL538334

SCHEMBL538334

N#Cc1nn(-c2ccccc2)c(OC(F)F)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.41
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL538098 0.78 CACNA1G (0.35) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL9231296 0.64 BCAT1 (0.50) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL13602939 0.61 BCAT1 (0.50) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL13219359 0.61 BCAT1 (0.57) BCAT1KDM4EALDH1A1GAAHSD17B10
SCHEMBL30201876 0.60 BCAT1 (0.66) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL698892 0.60 BCAT1 (0.53) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL3903645 0.60 ALDH1A1 (0.58) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL13741146 0.58 GAA (0.54) BCAT1KDM4EALDH1A1HPGDGAA
SCHEMBL5847585 0.57 BCAT1 (0.56) BCAT1KDM4EALDH1A1HPGDMAPK1
SCHEMBL8896355 0.57 NPSR1 (0.40) KDM4EALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 BCAT1 701/4885KDM4E 118/4885ALDH1A1 175/4885

“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.