SCHEMBL4094544

SCHEMBL4094544

CC(C)(C(=O)N(N)C(=O)C1CC1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
CYP19A1 P11511 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
NPY2R P49146 1/20 0.36
OPRD1 P41143 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
BLM P54132 2/20 0.34
RIPK1 Q13546 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
PGR P06401 1/20 0.34
THRB P10828 1/20 0.34
ADRB3 P13945 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4094548 0.71 KDM4E (0.42) SMN1; SMN2LMNANPY2RMEN1KMT2A
SCHEMBL8283520 0.71 MAPT (0.52) SMN1; SMN2LMNAL3MBTL1KMT2ABLM
SCHEMBL12928720 0.69 L3MBTL1 (0.52) SMN1; SMN2LMNAL3MBTL1BLMCYP2D6
SCHEMBL505194 0.69 L3MBTL1 (0.52) SMN1; SMN2LMNAL3MBTL1POLBKMT2A
SCHEMBL4097648 0.68 SMN1; SMN2 (0.47) SMN1; SMN2LMNAL3MBTL1POLBNPY2R
SCHEMBL10697753 0.68 L3MBTL1 (0.43) SMN1; SMN2LMNACYP19A1L3MBTL1BLM
SCHEMBL25511737 0.68 L3MBTL1 (0.50) SMN1; SMN2LMNAL3MBTL1POLBBLM
SCHEMBL25464082 0.67 GRM5 (0.49) SMN1; SMN2NPY2RKMT2ATSHRRAB9A
SCHEMBL10696448 0.66 KEAP1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL504847 0.65 PLCG1 (0.51) SMN1; SMN2CYP19A1L3MBTL1BLMCYP2D6

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3838/4885LMNA 4107/4885CYP19A1 121/4885

“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.