SCHEMBL427475

SCHEMBL427475

COc1ccc(-c2cn(C(=O)N3COCC3(C)C)cn2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
MIF P14174 2/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 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
SCHEMBL427043 0.92 FYN (0.39) MIFFYNMAOB
SCHEMBL426001 0.91 CNR2 (0.37) CNR2ALDH1A1HTT
SCHEMBL427563 0.91 ALDH1A1 (0.40) CNR2NPC1RAB9AHPGDMAPK1
SCHEMBL427176 0.91 CACNA1H (0.37) CNR2KDM4EALDH1A1
SCHEMBL425709 0.89 KDM4E (0.43) NPC1RAB9AHPGDTP53MAPT
SCHEMBL427620 0.87 KDM4E (0.38) CNR2NPC1RAB9AHPGDTP53
SCHEMBL427956 0.84 TP53 (0.39) NPC1RAB9AHPGDTP53NPSR1
SCHEMBL427535 0.83 CNR2 (0.35) CNR2NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL426016 0.83 MAP4K4 (0.42) CNR2HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL427118 0.82 DPP4 (0.40) CNR2NPC1RAB9AHPGDTP53

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 3 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

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 CNR2 9/4885MIF 2786/4885NPC1 446/4885

“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.