SCHEMBL16201458

SCHEMBL16201458

CCCN(C)Cc1c[nH]nc1-c1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.42
LPAR5 Q9H1C0 10/20 0.42
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR2A P28223 2/20 0.36
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL16201297 0.91 CARM1 (0.42) LPAR1LPAR5KDM4EMEN1ALDH1A1
SCHEMBL16204183 0.89 PRMT1 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16201453 0.88 SCN9A (0.38) LTA4HSLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL16201451 0.87 ERBB2 (0.47) LPAR1LPAR5KDM4EMEN1ALDH1A1
SCHEMBL16201436 0.86 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16201317 0.84 KDM4E (0.34) KDM4EALDH1A1MAPTNPSR1HTR2A
SCHEMBL16201442 0.82 MGLL (0.44) KDM4EALDH1A1MAPTNPSR1LTA4H
SCHEMBL16201341 0.81 MOK (0.37) ALDH1A1KMT2AHTR2A
SCHEMBL16201414 0.80 PRMT1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16201295 0.80 CARM1 (0.44) LTA4HSCN9A

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 LPAR1 3353/4885LPAR5 3091/4885KDM4E 157/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 LPAR1 4110/4885LPAR5 3781/4885KDM4E 288/4885

“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.