SCHEMBL425567

SCHEMBL425567

COc1ccc(NC(=O)n2nnc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.66
MGAM O43451 3/20 0.66
AMY1A P0DUB6 3/20 0.66
GAA P10253 3/20 0.66
SI P14410 3/20 0.66
MGAM2 Q2M2H8 3/20 0.66
MAPT P10636 4/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 1/20 0.57
FAAH O00519 1/20 0.56
MGLL Q99685 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL425439 0.87 MGLL (0.53) F12MGAMAMY1AGAASI
SCHEMBL7901101 0.85 RAB9A (0.62) F12MGAMAMY1AGAASI
SCHEMBL426720 0.84 GAA (0.59) F12MGAMAMY1AGAASI
SCHEMBL7196792 0.83 RPS6KA3 (0.54) F12MGAMAMY1AGAASI
SCHEMBL425448 0.82 GAA (0.54) F12MGAMAMY1AGAASI
SCHEMBL424346 0.82 F12 (0.63) F12MGAMAMY1AGAASI
SCHEMBL2494948 0.80 MGAM (1.00) F12MGAMAMY1AGAASI
SCHEMBL29195653 0.76 KMT2A (0.66) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL30846012 0.76 KMT2A (0.66) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL459733 0.75 GAA (0.60) F12MGAMAMY1AGAASI

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 F12 785/4885MGAM 1034/4885AMY1A 955/4885

“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.