SCHEMBL3507645

SCHEMBL3507645

COC(=O)c1cccc(C(=O)N(C)Cc2nc(CO)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCHE P06276 4/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYSLTR1 Q9Y271 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 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
SCHEMBL3509184 0.90 MEN1 (0.44) MEN1KMT2ABCHECYP4F2CYP4A11
SCHEMBL3510377 0.86 BCHE (0.45) MEN1KMT2ABCHENPC1RAB9A
SCHEMBL162235 0.86 NPC1 (0.52) MEN1KMT2ACYP4F2CYP4A11NPC1
SCHEMBL167142 0.76 RAB9A (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL3507212 0.76 RAB9A (0.43) MEN1KMT2ANPC1RAB9ASLC7A5
SCHEMBL4207094 0.76 RAB9A (0.43) MEN1KMT2ABCHECYP4F2CYP4A11
SCHEMBL3508756 0.75 MEN1 (0.49) MEN1KMT2ACYP4F2CYP4A11RAB9A
SCHEMBL3508802 0.75 RAB9A (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6165485 0.74 SMN1; SMN2 (0.51) MEN1KMT2ACYP4F2CYP4A11NPC1
SCHEMBL3645339 0.73 RAB9A (0.46) MEN1KMT2ANPC1RAB9AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP MEN1 3945/4885KMT2A 1493/4885BCHE 11/4885

“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.