SCHEMBL966467

SCHEMBL966467

O=C(O)NC1=Nc2ccccc2CS1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.62
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CYP1A2 P05177 1/20 0.37
NOTUM Q6P988 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 2/20 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
SCHEMBL9054124 0.86 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3026432 0.77 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL13214828 0.77 KMT2A (0.54) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11770529 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL967734 0.76 POLB (0.36) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3022175 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL14058963 0.74 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3022086 0.74 KMT2A (0.50) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3027021 0.72 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3029188 0.72 MAPT (0.51) NPC1RAB9ASMN1; SMN2KMT2APOLB

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-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP NPC1 13/4885RAB9A 1341/4885SMN1; SMN2 961/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP NPC1 13/4885RAB9A 1341/4885SMN1; SMN2 961/4885

“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.