SCHEMBL18173654

SCHEMBL18173654

O=S1(=O)CCCNc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKBIA P25963 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8269483 0.73 PLCG1 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL16860041 0.73 CYP19A1 (0.33) KDM4ELMNAKMT2ASLC40A1TDP1
SCHEMBL31332380 0.69 SLC40A1 (0.31) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL16860039 0.68 GRIA2 (0.35) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL16358849 0.68 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL8626624 0.68 GRIA2 (0.36) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL20378629 0.68 GAA (0.39) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL29663838 0.66 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL18173666 0.65 PLCG1 (0.45) SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL29416448 0.64 NNMT (0.44) KDM4EMAPTTSHRL3MBTL1

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
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
CN-107613771-B Compounds and their use as beta-secretase 1 inhibitors 新源生物科技股份有限公司 2020-12-15 CN disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 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 (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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP GAK 2440/4885CDK1 776/4885CDK2 504/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP GAK 2437/4885CDK1 779/4885CDK2 514/4885

“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.