SCHEMBL3489173

SCHEMBL3489173

CC(C)(C)N(/N=C/c1ccccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
G6PC1 P35575 1/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOA P21397 2/20 0.45
NR4A1 P22736 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL3489176 1.00 USP2 (0.53) USP2G6PC1NPC1RAB9ASMN1; SMN2
SCHEMBL9768784 0.80 USP2 (0.57) USP2G6PC1NPC1RAB9ASMN1; SMN2
SCHEMBL9768782 0.80 USP2 (0.57) USP2G6PC1NPC1RAB9ASMN1; SMN2
SCHEMBL21847304 0.77 KDM4E (0.33) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL9769017 0.77 G6PC1 (0.56) USP2G6PC1NPC1RAB9ASMN1; SMN2
SCHEMBL9769019 0.77 G6PC1 (0.56) USP2G6PC1NPC1RAB9ASMN1; SMN2
SCHEMBL10371052 0.76 RAB9A (0.51) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL10371051 0.76 RAB9A (0.51) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL3489832 0.72 G6PC1 (0.52) G6PC1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3489831 0.72 G6PC1 (0.52) G6PC1NPC1RAB9ASMN1; SMN2LMNA

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 USP2 4811/4885G6PC1 307/4885NPC1 3279/4885

“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.