SCHEMBL426110

SCHEMBL426110

COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1NS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CES2 O00748 1/20 0.54
BRD4 O60885 5/20 0.42
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.38
PIK3CA P42336 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
KCNH2 Q12809 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL424237 0.88 FAAH (0.56) FAAHCES2BRD4KDM4EPOLB
SCHEMBL424561 0.85 FAAH (0.59) FAAHCES2POLBGAAKMT2A
SCHEMBL428043 0.85 FAAH (0.51) FAAHCES2KDM4EHSD17B10POLB
SCHEMBL427870 0.84 FAAH (0.58) FAAHCES2POLBGAAPSEN1
SCHEMBL424691 0.83 FAAH (0.56) FAAHCES2POLBGAAKMT2A
SCHEMBL425833 0.83 FAAH (0.56) FAAHCES2KDM4EPOLBGAA
SCHEMBL424218 0.82 FAAH (0.54) FAAHCES2KDM4EPOLBGAA
SCHEMBL427920 0.82 FAAH (0.55) FAAHCES2KDM4EPOLBGAA
SCHEMBL464472 0.81 FAAH (0.55) FAAHCES2KDM4EPOLBGAA
SCHEMBL428175 0.81 FAAH (0.55) FAAHCES2POLBGAAKMT2A

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 8 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
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP 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 FAAH 1/4885CES2 62/4885BRD4 1155/4885

“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.