SCHEMBL16201401

SCHEMBL16201401

CCCN(C)Cc1c[nH]nc1-c1ccc(F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CHRM2 P08172 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
CRHR1 P34998 3/20 0.35
KCNH2 Q12809 1/20 0.34
CHRNA7 P36544 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
UGCG Q16739 1/20 0.33

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
SCHEMBL16201423 0.91 KDM4E (0.46) ALDH1A1KDM4ECCNT1CDK9HTR2A
SCHEMBL16201240 0.90 ALDH1A1 (0.46) ALDH1A1KDM4ECCNT1CDK9CHRM2
SCHEMBL16201359 0.87 CRHR1 (0.46) ALDH1A1KDM4ECRHR1GAA
SCHEMBL16201356 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHTR2AMEN1GAA
SCHEMBL16201413 0.86 NMT1 (0.40) ALDH1A1KDM4EHTR2ACRHR1MEN1
SCHEMBL16201391 0.85 CHRM2 (0.45) ALDH1A1HTR2AHTR2CCHRM2
SCHEMBL16201348 0.85 NISCH (0.36) ALDH1A1KDM4EHTR2ACRHR1MEN1
SCHEMBL16201411 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHTR2AMEN1GAA
SCHEMBL16201367 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHTR2AHTR2CMEN1
SCHEMBL16201374 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ECRHR1CHRNA7GAA

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 157/4885CCNT1 2905/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885KDM4E 288/4885CCNT1 3500/4885

“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.