SCHEMBL10284444

SCHEMBL10284444

CC(O)c1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SCN10A Q9Y5Y9 7/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.43
HTT P42858 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2708178 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL2707923 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL16307908 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2SCN10ACYP1A2ALOX15
SCHEMBL11983002 0.78 SCN10A (0.49) ALDH1A1SCN10ACYP1A2ALOX15HTT
SCHEMBL18659837 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL10284442 0.75 DDAH1 (0.51) ALDH1A1SCN10ACYP1A2ALOX15HTT
SCHEMBL3269719 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL846652 0.75 SCN10A (0.78) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL5988285 0.74 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL13447673 0.74 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885L3MBTL1 699/4885

“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.