SCHEMBL16201442

SCHEMBL16201442

CCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BTK Q06187 1/20 0.36
MMP14 P50281 1/20 0.35
SCN9A Q15858 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CACNA1B Q00975 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.33
TNK2 Q07912 1/20 0.33
DHODH Q02127 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL16201287 0.91 MGLL (0.45) MGLLNPC1RAB9ABTKSCN9A
SCHEMBL16201453 0.89 SCN9A (0.38) MGLLSCN9ACACNA1BLTA4H
SCHEMBL16204182 0.89 MGLL (0.42) MGLLNPC1RAB9ABTKSCN9A
SCHEMBL16201436 0.88 ALDH1A1 (0.42) MGLLRAB9AKDM4EMAPTNPSR1
SCHEMBL16201329 0.85 NPC1 (0.44) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL16201317 0.83 KDM4E (0.34) KDM4EMAPTNPSR1ALDH1A1GAA
SCHEMBL16201458 0.82 LPAR1 (0.42) MMP14SCN9AKDM4EMAPTNPSR1
SCHEMBL16201451 0.80 ERBB2 (0.47) SCN9AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL16201414 0.79 PRMT1 (0.41) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL16201295 0.79 CARM1 (0.44) MGLLSCN9ALTA4H

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 MGLL 1943/4885NPC1 631/4885RAB9A 1186/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MGLL 2865/4885NPC1 793/4885RAB9A 1199/4885

“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.