Sugi Predict

Sugi Predict / Compounds / SCHEMBL16201353

SCHEMBL16201353

SCHEMBL16201353

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR1D P28221 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ADRA1A P35348 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
SCHEMBL16201339 0.88 PRMT6 (0.38) KDM4ESLC6A2SLC6A4NISCHKIF11
SCHEMBL16201166 0.88 CARM1 (0.42) ALDH1A1HTR1DNR1I2LMNAADRA2A
SCHEMBL16201421 0.86 MEN1 (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL16201347 0.85 CRHR1 (0.38) ALDH1A1HTTSMN1; SMN2KDM4ENR1I2
SCHEMBL16201317 0.85 KDM4E (0.34) ALDH1A1KDM4EHPGDLMNAHTR2A
SCHEMBL16201341 0.85 MOK (0.37) ALDH1A1ACHEHTR2ASIGMAR1KMT2A
SCHEMBL16201414 0.84 PRMT1 (0.41) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL16772890 0.83 MAPK11 (0.38) SMN1; SMN2KDM4ECYP2D6MAPT
SCHEMBL16201419 0.83 MEN1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL16201326 0.82 HRH3 (0.43) ALDH1A1HPGDHSD17B10HTR2ASLC6A4

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 686/4885HTT 3149/4885SMN1; SMN2 1252/4885
US-20160137609-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ALDH1A1 895/4885HTT 3309/4885SMN1; SMN2 2641/4885

“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.