SCHEMBL16201359

SCHEMBL16201359

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.46
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16201177 0.89 GAA (0.41) CRHR1GAAALDH1A1KDM4EHPGD
SCHEMBL16201405 0.88 CRHR1 (0.47) CRHR1ALDH1A1KDM4E
SCHEMBL16201401 0.87 ALDH1A1 (0.44) CRHR1GAAALDH1A1KDM4E
SCHEMBL16201394 0.87 CRHR1 (0.40) CRHR1ALDH1A1KDM4E
SCHEMBL16201374 0.87 ALDH1A1 (0.48) CRHR1GAAALDH1A1KDM4E
SCHEMBL16201403 0.84 CRHR1 (0.41) CRHR1GAAALDH1A1KDM4E
SCHEMBL16201391 0.84 CHRM2 (0.45) ALDH1A1HPGD
SCHEMBL16201414 0.81 PRMT1 (0.41) GAAALDH1A1KDM4E
SCHEMBL16201423 0.80 KDM4E (0.46) GAAALDH1A1KDM4E
SCHEMBL16201408 0.80 L3MBTL1 (0.45) ALDH1A1KDM4EHPGD

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 CRHR1 3768/4885GAA 384/4885ALDH1A1 686/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CRHR1 3785/4885GAA 738/4885ALDH1A1 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.