SCHEMBL16201396

SCHEMBL16201396

CCCN(C)Cc1cnn(CC(O)CO)c1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TGFBR1 P36897 4/20 0.32
SCN9A Q15858 2/20 0.32
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
MOK Q9UQ07 1/20 0.31
SMO Q99835 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL16201203 0.90 PRMT1 (0.34) MAPK14KDM4EALDH1A1TGFBR1SCN9A
SCHEMBL16201327 0.84 SLC34A1 (0.35) MAPK14KDM4EALDH1A1PRMT6PRMT1
SCHEMBL16201328 0.78 KDM4E (0.39) MAPK14KDM4EALDH1A1TGFBR1SCN9A
SCHEMBL16201321 0.78 MAPK14 (0.37) MAPK14ALDH1A1PRMT6PRMT1PRMT8
SCHEMBL16201319 0.78 PRMT6 (0.44) MAPK14KDM4EALDH1A1PRMT6PRMT1
SCHEMBL16204227 0.77 PRMT1 (0.42) MAPK14PRMT6PRMT1PRMT8MOK
SCHEMBL16201346 0.75 PTGS2 (0.33) ALDH1A1
SCHEMBL16201160 0.74 PRMT1 (0.36) MAPK14PRMT6PRMT1PRMT8MAPK13
SCHEMBL16204228 0.73 PRMT1 (0.45) PRMT6PRMT1PRMT8MOK
SCHEMBL16201333 0.70 PLK2 (0.32) MAPK14ALDH1A1TGFBR1PRMT6PRMT1

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 MAPK14 2928/4885KDM4E 157/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MAPK14 2281/4885KDM4E 288/4885ALDH1A1 895/4885

“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.