SCHEMBL16201413

SCHEMBL16201413

CCCN(C)Cc1c[nH]nc1-c1ccc(F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AB1 P08238 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 4/20 0.33
TLR8 Q9NR97 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CRHR1 P34998 1/20 0.31
MCHR1 Q99705 1/20 0.31
MPO P05164 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
SCHEMBL16201411 0.90 ALDH1A1 (0.39) NMT1ALDH1A1MEN1GAAMAPT
SCHEMBL16201243 0.89 ALDH1A1 (0.40) NMT1ALDH1A1MEN1GAAMAPT
SCHEMBL16201356 0.89 ALDH1A1 (0.41) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL16201343 0.88 PYCR1 (0.36) ALDH1A1MAPTHSP90AB1CRHR1
SCHEMBL16201348 0.87 NISCH (0.36) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL16201401 0.86 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL16201404 0.85 CRHR1 (0.44) TDP1HSP90AB1L3MBTL1CRHR1
SCHEMBL16201405 0.84 CRHR1 (0.47) ALDH1A1KDM4ECRHR1
SCHEMBL16201367 0.84 ALDH1A1 (0.35) ALDH1A1MEN1GAAMAPTHTT
SCHEMBL16201423 0.83 KDM4E (0.46) ALDH1A1MEN1GAAMAPTHTT

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 NMT1 209/4885ALDH1A1 686/4885MEN1 1218/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 NMT1 474/4885ALDH1A1 895/4885MEN1 1839/4885

“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.