SCHEMBL5013529

SCHEMBL5013529

COc1ccc(CNS(C)(=O)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.45
CNR2 P34972 1/20 0.44
MLLT1 Q03111 1/20 0.41
DYRK1A Q13627 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
ADORA2A P29274 1/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL24632527 0.78 KMT2A (0.49) NAMPTLMNAKMT2ACNR2KDM4E
SCHEMBL28716501 0.78 TSHR (0.46) NAMPTKDM1AMAOAMAOBLMNA
SCHEMBL29493341 0.78 TSHR (0.46) NAMPTKDM1AMAOAMAOBLMNA
SCHEMBL178395 0.78 KDM1A (0.51) NAMPTKDM1AMAOAMAOBLMNA
SCHEMBL30471820 0.78 KDM1A (0.51) NAMPTKDM1AMAOAMAOBLMNA
SCHEMBL5013531 0.77 NNMT (0.46) NAMPTLMNAKMT2ATAS2R14MEN1
SCHEMBL18291414 0.77 KMT2A (0.47) NAMPTLMNAKMT2AKDM4E
SCHEMBL5008265 0.77 KMT2A (0.56) NAMPTKDM1AMAOAMAOBKMT2A
SCHEMBL20775012 0.76 KDM1A (0.50) NAMPTKDM1AMAOAMAOBLMNA
SCHEMBL13401263 0.76 KDM1A (0.50) NAMPTKDM1AMAOAMAOBLMNA

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-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NAMPT 2652/4885KDM1A 3929/4885MAOA 2401/4885

“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.