SCHEMBL427381

SCHEMBL427381

CN(CCOCc1ccccc1)C(=O)n1nnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 6/20 0.45
MGAM O43451 5/20 0.45
AMY1A P0DUB6 5/20 0.45
SI P14410 5/20 0.45
MGAM2 Q2M2H8 5/20 0.45
F2 P00734 2/20 0.45
HPGD P15428 2/20 0.45
SLC9A1 P19634 1/20 0.45
FAAH O00519 4/20 0.44
MGLL Q99685 3/20 0.44
ASAH1 Q13510 1/20 0.44
F12 P00748 4/20 0.43
DGAT1 O75907 1/20 0.43
MIF P14174 1/20 0.42

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
SCHEMBL427014 0.86 ASAH1 (0.45) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL426780 0.84 ASAH1 (0.54) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL426846 0.82 ASAH1 (0.58) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL425437 0.81 GAA (0.52) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL426874 0.80 ASAH1 (0.59) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL424474 0.78 MGAM (0.58) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL426724 0.78 ASAH1 (0.56) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL11882946 0.76 ASAH1 (0.60) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL25277162 0.74 ALDH1A1 (0.50) ALDH1A1HTTNPC1RAB9A
SCHEMBL425007 0.74 KMT2A (0.61) KMT2AMAPTKDM4EALDH1A1HTT

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 7 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 KMT2A 2067/4885MAPT 1705/4885KDM4E 1982/4885

“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.