SCHEMBL16201356

SCHEMBL16201356

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 4/20 0.34
RIPK1 Q13546 2/20 0.34
ALPL P05186 2/20 0.33
LMNA P02545 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
RECQL P46063 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL16201190 0.90 ALDH1A1 (0.41) ALDH1A1KDM4ENCOA1SMN1; SMN2L3MBTL1
SCHEMBL16201360 0.89 ALDH1A1 (0.36) ALDH1A1KDM4ENCOA1SMN1; SMN2L3MBTL1
SCHEMBL16201413 0.89 NMT1 (0.40) ALDH1A1KDM4ENCOA1SMN1; SMN2L3MBTL1
SCHEMBL16201348 0.88 NISCH (0.36) ALDH1A1KDM4ENCOA1SMN1; SMN2L3MBTL1
SCHEMBL16201399 0.88 SLC6A2 (0.35) ALDH1A1KDM4EL3MBTL1TDP1MEN1
SCHEMBL16201401 0.87 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1MEN1GAA
SCHEMBL16201374 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EGAA
SCHEMBL16201411 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ENCOA1SMN1; SMN2L3MBTL1
SCHEMBL16201397 0.86 PRMT6 (0.41) ALDH1A1KDM4EIDO1
SCHEMBL16201367 0.85 ALDH1A1 (0.35) ALDH1A1KDM4ETDP1MEN1GAA

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 686/4885KDM4E 157/4885NCOA1 1818/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885KDM4E 288/4885NCOA1 1310/4885

“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.