SCHEMBL17469501

SCHEMBL17469501

CNCCN(C)Cc1n[nH]c2ccc(OCc3ccc(C(C)=O)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MAOB P27338 9/20 0.41
▸ MAOA P21397 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ KIT P10721 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ F10 P00742 1/20 0.36

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
SCHEMBL17469492 0.92 PARP10 (0.43) FLT3MAOBALDH1A1SMN1; SMN2ALOX5
SCHEMBL17469495 0.90 MAOB (0.42) FLT3MAOBMAOATTKMAPK8
SCHEMBL19245440 0.89 TTK (0.50) FLT3ALDH1A1FGFR4LMNATTK
SCHEMBL17469475 0.86 HTR1D (0.46) FLT3MAOBALDH1A1SMN1; SMN2FGFR4
SCHEMBL16129387 0.85 FGFR4 (0.45) FLT3MAOBMAOAFGFR4TTK
SCHEMBL20066384 0.85 PRMT1 (0.43) MAOBMAOAFGFR4
SCHEMBL17469493 0.85 APP (0.38) FLT3MAOBFGFR4TTK
SCHEMBL17469454 0.84 MAOB (0.41) MAOBMAOAKIT
SCHEMBL16129388 0.84 MAOB (0.43) MAOBMAOA
SCHEMBL17469514 0.84 TTK (0.48) FLT3MAOBALDH1A1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 FLT3 1097/4885HRH3 1029/4885MAOB 382/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 FLT3 1097/4885HRH3 1029/4885MAOB 382/4885

“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.

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