SCHEMBL17457566

SCHEMBL17457566

CNC(CN)Cc1n[nH]c2ccc(OCC(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TTK P33981 5/20 0.37
▸ XDH P47989 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ LRRK2 Q5S007 5/20 0.34
▸ MAPK8 P45983 4/20 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
SCHEMBL17457563 0.82 MAPT (0.38) NPC1TP53GAAMAPTHTT
SCHEMBL16119983 0.75 KDM4E (0.37) NPC1TP53GAAMAPTHTT
SCHEMBL18789070 0.74 LRRK2 (0.41) TTKMAOALRRK2
SCHEMBL17253616 0.71 KDM4E (0.46) MAPTKDM4EALDH1A1TTKMEN1
SCHEMBL16099536 0.69 KDM4E (0.44) NPC1TP53GAAMAPTHTT
SCHEMBL906084 0.69 HTR2A (0.57) MAPTKDM4EALDH1A1TTKMEN1
SCHEMBL11963085 0.68 MAOA (0.51) NPC1TP53GAAMAPTHTT
SCHEMBL18663981 0.68 MAOA (0.51) NPC1TP53GAAMAPTHTT
SCHEMBL6221858 0.66 PRKAG1 (0.45) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL6221861 0.66 PRKAG1 (0.45) NPC1MAPTRAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NPC1 611/4885TP53 2058/4885GAA 287/4885

“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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