SCHEMBL448501

SCHEMBL448501

COC(=O)ON=C(N)c1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
CES2 O00748 1/20 0.53
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 2/20 0.37
F2 P00734 4/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL426555 1.00 FAAH (0.53) FAAHCES2RAB9ANPC1CASP3
SCHEMBL446704 0.86 FAAH (0.58) FAAHCES2RAB9ANPC1POLB
SCHEMBL424815 0.86 FAAH (0.58) FAAHCES2RAB9ANPC1POLB
SCHEMBL425960 0.84 FAAH (0.62) FAAHCES2RAB9ANPC1POLB
SCHEMBL425992 0.80 FAAH (0.62) FAAHCES2RAB9ANPC1POLB
SCHEMBL425056 0.79 FAAH (0.65) FAAHCES2RAB9ANPC1POLB
SCHEMBL424561 0.79 FAAH (0.59) FAAHCES2RAB9APOLBTSHR
SCHEMBL425965 0.78 FAAH (0.61) FAAHCES2RAB9ANPC1KMT2A
SCHEMBL14950289 0.78 FAAH (0.66) FAAHCES2RAB9ANPC1POLB
SCHEMBL425914 0.78 FAAH (0.66) FAAHCES2RAB9ANPC1POLB

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 2 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-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 FAAH 1/4885CES2 62/4885RAB9A 2266/4885

“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.