SCHEMBL16201438

SCHEMBL16201438

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
CYP19A1 P11511 7/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2C19 P33261 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 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
SCHEMBL16201430 0.95 CYP19A1 (0.40) CYP19A1CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL16201279 0.89 CARM1 (0.46) NR1I2CYP3A4L3MBTL1SMN1; SMN2PRMT3
SCHEMBL16201419 0.89 MEN1 (0.41) SMN1; SMN2TP53GAARAB9AHSD17B10
SCHEMBL16201283 0.85 CARM1 (0.45) CYP19A1CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL16201414 0.85 PRMT1 (0.41) L3MBTL1PRMT3CARM1PRMT6PRMT1
SCHEMBL16201342 0.84 PRMT1 (0.39) CYP19A1CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL16204201 0.83 PRMT1 (0.42) CYP19A1CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL16201421 0.82 MEN1 (0.36) L3MBTL1SMN1; SMN2PRMT3CARM1PRMT6
SCHEMBL16201332 0.81 PRMT1 (0.51) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL16201436 0.81 ALDH1A1 (0.42) L3MBTL1GAARAB9AHSD17B10

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 NR1I2 847/4885CYP19A1 1163/4885CYP2C9 1861/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 NR1I2 407/4885CYP19A1 1237/4885CYP2C9 1475/4885

“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.