SCHEMBL16201328

SCHEMBL16201328

CCCN(C)Cc1cn(CC(O)CO)nc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.37
AGTR1 P30556 1/20 0.37
BRAF P15056 1/20 0.37
MAPK3 P27361 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TGFBR1 P36897 4/20 0.34
RECQL P46063 1/20 0.34
SCN9A Q15858 2/20 0.33

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
SCHEMBL16201167 0.90 KDM4E (0.37) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16201325 0.84 MAPT (0.41) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16204275 0.79 KDM4E (0.36) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16201396 0.78 MAPK14 (0.34) KDM4EMAPK14ALDH1A1TGFBR1SCN9A
SCHEMBL16201320 0.78 ALDH1A1 (0.41) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16201318 0.78 KDM4E (0.45) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16204174 0.77 KDM4E (0.35) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16201344 0.75 KMT2A (0.41) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16201157 0.74 MAPT (0.41) KDM4EMAPTMAPK1LMNANPSR1
SCHEMBL16204175 0.73 KDM4E (0.43) KDM4EMAPTMAPK1LMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776972-B2 Pyrazole derivatives as arginine methyltransferase inhibitors and uses thereof EPIZYME INC. (US) 2017-10-03 US disclosed
US-9346761-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-05-24 US disclosed
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-05-19 US disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 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 (2 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-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM4E 157/4885MAPT 1449/4885MAPK1 2329/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM4E 288/4885MAPT 1526/4885MAPK1 1952/4885

“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.