SCHEMBL426846

SCHEMBL426846

CN(CCCc1ccccc1)C(=O)n1nnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.58
TRPV1 Q8NER1 2/20 0.53
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DAGLA Q9Y4D2 3/20 0.48
F2 P00734 2/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
AMY1A P0DUB6 1/20 0.48
SI P14410 1/20 0.48
HPGD P15428 1/20 0.48
SLC9A1 P19634 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MGLL Q99685 3/20 0.47
FAAH O00519 3/20 0.46
F12 P00748 1/20 0.46

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
SCHEMBL426874 0.95 ASAH1 (0.59) ASAH1TRPV1KMT2AMAPTKDM4E
SCHEMBL426780 0.92 ASAH1 (0.54) ASAH1TRPV1KMT2AMAPTKDM4E
SCHEMBL426724 0.86 ASAH1 (0.56) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425437 0.84 GAA (0.52) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11882946 0.84 ASAH1 (0.60) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL427381 0.82 KMT2A (0.45) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19380442 0.79 ASAH1 (0.55) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425552 0.77 KMT2A (0.59) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL15771731 0.76 ASAH1 (0.57) ASAH1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425007 0.76 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 6 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
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 ASAH1 3/4885TRPV1 165/4885KMT2A 2067/4885

“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.