SCHEMBL16201423

SCHEMBL16201423

CCCN(C)Cc1c[nH]nc1-c1cc(F)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LRRK2 Q5S007 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CHRM2 P08172 1/20 0.36
S1PR1 P21453 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL16201401 0.91 ALDH1A1 (0.44) KDM4EALDH1A1HTR2AHTR2CCHRM2
SCHEMBL16201249 0.90 ALDH1A1 (0.48) KDM4EALDH1A1LRRK2HTR2AHTR2C
SCHEMBL16201408 0.86 L3MBTL1 (0.45) KDM4EALDH1A1LRRK2HTR2CSLC6A2
SCHEMBL16201411 0.86 ALDH1A1 (0.39) KDM4EALDH1A1HTR2AS1PR1SLC6A2
SCHEMBL16201391 0.85 CHRM2 (0.45) ALDH1A1HTR2AHTR2CCHRM2SMN1; SMN2
SCHEMBL16125380 0.85 CETP (0.38) KDM4EALDH1A1
SCHEMBL16201367 0.85 ALDH1A1 (0.35) KDM4EALDH1A1HTR2AHTR2CSLC6A2
SCHEMBL16201356 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HTR2AMEN1MAPT
SCHEMBL16201413 0.83 NMT1 (0.40) KDM4EALDH1A1HTR2AMEN1MAPT
SCHEMBL16201348 0.82 NISCH (0.36) KDM4EALDH1A1HTR2ASLC6A2SLC6A4

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 KDM4E 157/4885ALDH1A1 686/4885LRRK2 894/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 KDM4E 288/4885ALDH1A1 895/4885LRRK2 874/4885

“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.