SCHEMBL2182131

SCHEMBL2182131

CC=NN(C)c1cc(=O)n(C)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
THRB P10828 2/20 0.60
KDM4C Q9H3R0 2/20 0.57
GAA P10253 3/20 0.51
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
NR1I2 O75469 1/20 0.46
AHR P35869 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRCA1 P38398 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
YTHDF2 Q9Y5A9 1/20 0.39
HTT P42858 1/20 0.33
TP53 P04637 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
SCHEMBL2182128 1.00 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL3472022 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL3472928 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL3474709 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL3474190 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL3475882 0.79 TSHR (0.44) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL2179941 0.78 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL2181477 0.78 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL2181480 0.78 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1HPGDTHRB
SCHEMBL2179940 0.78 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR SMN1; SMN2 2741/4885KDM4E 4180/4885ALDH1A1 245/4885

“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.