SCHEMBL3344973

SCHEMBL3344973

COC(=O)c1cc(Br)cc(C(=O)N(C)Cc2nc(C)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL167142 0.91 RAB9A (0.46) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3510505 0.90 RAB9A (0.45) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3507304 0.89 RAB9A (0.44) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3507212 0.88 RAB9A (0.43) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3346033 0.87 NPC1 (0.42) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3510780 0.87 RAB9A (0.43) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3509328 0.87 RAB9A (0.45) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3510927 0.87 RAB9A (0.43) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3508736 0.87 RAB9A (0.43) RAB9ANPC1KDM4EHTTSMN1; SMN2
SCHEMBL3511816 0.87 RAB9A (0.43) RAB9ANPC1KDM4EHTTSMN1; SMN2

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 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 RAB9A 3199/4885NPC1 204/4885NOTUM 175/4885

“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.