SCHEMBL13401232

SCHEMBL13401232

Cc1ccc(C=NNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.78
RAB9A P51151 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
NPC1 O15118 4/20 0.76
RECQL P46063 1/20 0.76
MAPT P10636 7/20 0.74
KDM4E B2RXH2 3/20 0.67
LMNA P02545 2/20 0.60
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL6444640 0.88 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6444643 0.88 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373505 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373502 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL17290220 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6443003 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13903557 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL14902404 0.86 RAB9A (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6423387 0.86 MAPT (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL12979794 0.86 MAPT (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 MIF 894/4885RAB9A 3946/4885SMN1; SMN2 3919/4885

“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.