SCHEMBL16201399

SCHEMBL16201399

CCCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CRHR1 P34998 9/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PYCR1 P32322 1/20 0.32

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
SCHEMBL16201406 0.92 TDP1 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1TDP1
SCHEMBL16201221 0.91 CARM1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1TDP1
SCHEMBL16201356 0.88 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL16201352 0.88 CRHR1 (0.43) TDP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16201404 0.87 CRHR1 (0.44) SLC6A2SLC6A4SLC6A3TDP1CYP1A2
SCHEMBL16201360 0.87 ALDH1A1 (0.36) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL16201374 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ECRHR1
SCHEMBL16201397 0.84 PRMT6 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL16201348 0.83 NISCH (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1TDP1
SCHEMBL16201351 0.83 LMNA (0.44) ALDH1A1TDP1KDM4ELMNAMEN1

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 SLC6A2 1784/4885SLC6A4 2514/4885SLC6A3 1962/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 SLC6A2 2703/4885SLC6A4 2817/4885SLC6A3 2333/4885

“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.