SCHEMBL3489831

SCHEMBL3489831

CC(C)(C)N(/N=C/c1cccnc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.52
RAB9A P51151 5/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 3/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3489832 1.00 G6PC1 (0.52) G6PC1RAB9AMAPTMAPK1POLB
SCHEMBL3490013 0.82 G6PC1 (0.46) G6PC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL3490011 0.82 G6PC1 (0.46) G6PC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL21847171 0.76 MEN1 (0.34) RAB9AMAPTPOLBALDH1A1KMT2A
SCHEMBL9034620 0.76 ALDH1A1 (0.53) G6PC1RAB9AMAPTMAPK1POLB
SCHEMBL3488127 0.74 ATM (0.44) RAB9AMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL3488129 0.74 ATM (0.44) RAB9AMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL21847304 0.73 KDM4E (0.33) RAB9AMAPTMAPK1POLBKMT2A
SCHEMBL7662092 0.73 ALDH1A1 (0.62) G6PC1RAB9AMAPTMAPK1POLB
SCHEMBL7662089 0.73 ALDH1A1 (0.62) G6PC1RAB9AMAPTMAPK1POLB

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 G6PC1 307/4885RAB9A 3946/4885MAPT 2903/4885

“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.