SCHEMBL16201453

SCHEMBL16201453

CCCN(C)Cc1c[nH]nc1-c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.38
MGLL Q99685 1/20 0.38
SCN4A P35499 3/20 0.35
LTA4H P09960 1/20 0.34
HTR5A P47898 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CACNA1B Q00975 1/20 0.33
MCHR1 Q99705 1/20 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
SCHEMBL16201317 0.94 KDM4E (0.34) HTR5AALOX5MCHR1
SCHEMBL16201295 0.89 CARM1 (0.44) SCN9AMGLLSCN4ALTA4H
SCHEMBL16201436 0.89 ALDH1A1 (0.42) MGLLLTA4H
SCHEMBL16201442 0.89 MGLL (0.44) SCN9AMGLLLTA4HCACNA1B
SCHEMBL16201458 0.88 LPAR1 (0.42) SCN9ALTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL16201414 0.85 PRMT1 (0.41)
SCHEMBL16201361 0.84 PRMT6 (0.45) SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL16201419 0.84 MEN1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL16201345 0.83 PRMT3 (0.40)
SCHEMBL16201148 0.82 CARM1 (0.43)

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 SCN9A 3718/4885MGLL 1943/4885SCN4A 4352/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 SCN9A 3931/4885MGLL 2865/4885SCN4A 4300/4885

“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.