SCHEMBL16201436

SCHEMBL16201436

CCCN(C)Cc1c[nH]nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERBB2 P04626 1/20 0.39
LMNA P02545 1/20 0.38
LTA4H P09960 5/20 0.38
MGLL Q99685 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MOK Q9UQ07 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16201341 0.90 MOK (0.37) ALDH1A1KMT2AMOK
SCHEMBL16201282 0.89 CARM1 (0.45) ALDH1A1POLBGAAMAPTKDM4E
SCHEMBL16201453 0.89 SCN9A (0.38) LTA4HMGLL
SCHEMBL16201442 0.88 MGLL (0.44) ALDH1A1POLBGAAMAPTKDM4E
SCHEMBL16201458 0.86 LPAR1 (0.42) ALDH1A1MAPTKDM4ENPSR1L3MBTL1
SCHEMBL16201414 0.86 PRMT1 (0.41) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL16201419 0.85 MEN1 (0.41) ALDH1A1POLBGAAMAPTKDM4E
SCHEMBL16201451 0.84 ERBB2 (0.47) ALDH1A1MAPTKDM4ENPSR1MAPK1
SCHEMBL16201421 0.83 MEN1 (0.36) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL16201332 0.82 PRMT1 (0.51) MAPT

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 ALDH1A1 686/4885POLB 2003/4885GAA 384/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885POLB 2238/4885GAA 738/4885

“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.