SCHEMBL427865

SCHEMBL427865

CCOC(=O)c1ccc2nnn(C(=O)N3COCC3(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
MAPK1 P28482 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PIK3CA P42336 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL426089 0.84 NAMPT (0.38) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL425936 0.84 KCNMA1 (0.39) RAB9AMAPTRXFP1KDM4EALDH1A1
SCHEMBL426102 0.82 FAAH (0.42) LMNARAB9AMAPTMAPK1RXFP1
SCHEMBL425919 0.80 HDAC3 (0.43) LMNAMAPTMAPK1TP53KDM4E
SCHEMBL427401 0.80 MAPT (0.47) RAB9AMAPTSIRT2KDM4EALDH1A1
SCHEMBL427663 0.80 FAAH (0.36) LMNARAB9ARXFP1KDM4EALDH1A1
SCHEMBL424905 0.78 RAB9A (0.48) NPC1LMNARAB9AMAPTMAPK1
SCHEMBL426009 0.78 GAA (0.46) NPC1LMNARAB9ATP53RXFP1
SCHEMBL7899384 0.78 GAA (0.32) NPC1RAB9AMAPTRXFP1KDM4E
SCHEMBL424689 0.77 KCNMA1 (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10

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 4 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-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

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 PDE2A 624/4885NPC1 446/4885LMNA 2523/4885

“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.