SCHEMBL9482

SCHEMBL9482

NC(=O)CCCc1cncs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
SLC6A3 Q01959 6/20 0.35
HTT P42858 2/20 0.34
FFAR1 O14842 1/20 0.34
SLC6A2 P23975 2/20 0.33
ARG1 P05089 1/20 0.33

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
SCHEMBL27629231 0.91 PARP15 (0.46) PARP15PARP10SMN1; SMN2ALDH1A1POLB
SCHEMBL13851671 0.85 FFAR1 (0.43) PARP15PARP10SMN1; SMN2ALDH1A1TDP1
Oxalic Acid SCHEMBL27272136 0.79 PARP15 (0.40) PARP15PARP10SMN1; SMN2TSHRTDP1
SCHEMBL954216 0.79
SCHEMBL2517712 0.77 FFAR1 (0.49) PARP15PARP10SMN1; SMN2TDP1TBXAS1
SCHEMBL2093337 0.76
SCHEMBL30107358 0.76 POLB (0.53) PARP15PARP10SMN1; SMN2POLBTDP1
SCHEMBL17080164 0.75 PARP15 (0.47) PARP15PARP10SMN1; SMN2ALDH1A1POLB
SCHEMBL5087896 0.75 TBXAS1 (0.37) PARP15PARP10SMN1; SMN2TDP1TBXAS1
SCHEMBL2095928 0.73 TBXAS1 (0.39) PARP15PARP10SMN1; SMN2TDP1TBXAS1

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP PARP15 222/4885PARP10 307/4885SMN1; SMN2 3569/4885

“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.