SCHEMBL16201419

SCHEMBL16201419

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 7/20 0.40
TP53 P04637 2/20 0.40
XDH P47989 1/20 0.39
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
NQO1 P15559 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MPI P34949 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TTK P33981 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
SCHEMBL16201255 0.90 CARM1 (0.46) MEN1KMT2AALDH1A1TP53XDH
SCHEMBL16201438 0.89 NR1I2 (0.38) TP53SMN1; SMN2GAARAB9AHSD17B10
SCHEMBL16201414 0.88 PRMT1 (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL17758367 0.88 PRMT1 (0.45) MEN1KMT2AALDH1A1TP53XDH
SCHEMBL16201342 0.88 PRMT1 (0.39) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL16201430 0.87 CYP19A1 (0.40) XDHSLC6A2SLC6A4SLC6A3ALPL
SCHEMBL16201365 0.85 HRH3 (0.42)
SCHEMBL16201421 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16201332 0.85 PRMT1 (0.51) XDHMAPT
SCHEMBL16201436 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA

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 MEN1 1218/4885KMT2A 65/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MEN1 1839/4885KMT2A 96/4885ALDH1A1 895/4885

“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.