SCHEMBL427526

SCHEMBL427526

CN(C(=O)n1nnc2ccccc21)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.51
FAAH O00519 8/20 0.51
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
TDP2 O95551 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
SMAD3 P84022 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGAM O43451 1/20 0.41

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
SCHEMBL427308 0.83 KMT2A (0.70) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL425552 0.81 KMT2A (0.59) MGLLFAAHMAPTKMT2AKDM4E
SCHEMBL7899312 0.80 KMT2A (0.59) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL425440 0.79 F12 (0.60) MGLLFAAHMAPTKMT2AKDM4E
SCHEMBL427408 0.74 KMT2A (0.48) MGLLFAAHMAPTKMT2AKDM4E
SCHEMBL425007 0.73 KMT2A (0.61) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL426681 0.72 MGLL (0.71) MGLLFAAHHTT
SCHEMBL425444 0.71 F12 (0.65) MGLLFAAHMAPTKMT2AKDM4E
SCHEMBL4401039 0.70 DGAT1 (0.66) MGLLFAAHMAPTKMT2AKDM4E
SCHEMBL424354 0.69 KMT2A (0.51) MAPTKMT2AKDM4EALDH1A1HTT

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 MGLL 11/4885FAAH 1/4885MAPT 1705/4885

“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.