SCHEMBL4097648

SCHEMBL4097648

CC(C)(C(=O)NN)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.42
P2RX7 Q99572 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NPY2R P49146 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL25460784 0.86 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1POLB
SCHEMBL8283520 0.81 MAPT (0.52) SMN1; SMN2L3MBTL1KDM4EMAPK1ALDH1A1
SCHEMBL12928720 0.79 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1KDM4EMAPK1ALDH1A1
SCHEMBL505194 0.79 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1KDM4EMAPK1ALDH1A1
SCHEMBL20166850 0.79 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1KDM4EP2RX7ALDH1A1
SCHEMBL504847 0.79 PLCG1 (0.51) SMN1; SMN2L3MBTL1KDM4EALDH1A1HDAC6
SCHEMBL25511737 0.78 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1KDM4EMAPK1ALDH1A1
SCHEMBL25464082 0.77 GRM5 (0.49) SMN1; SMN2KDM4EALDH1A1NPY2RRAB9A
SCHEMBL4094548 0.76 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1NPY2RNPC1
SCHEMBL2396377 0.75 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1HDAC6

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 3838/4885L3MBTL1 1809/4885KDM4E 2936/4885

“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.