SCHEMBL18173668

SCHEMBL18173668

c1ccc2c(c1)Nc1ncccc1[C@H]1C[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
IDH1 O75874 12/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
AKT1 P31749 1/20 0.35
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11788559 0.79 TSHR (0.42) CYP1A2GAAMAPTKMT2A
SCHEMBL13748726 0.71 IDH1 (0.44) SMN1; SMN2CYP1A2IDH1
SCHEMBL23264408 0.71 IDO1 (0.47) GSK3BKDM4EGAAMAPT
SCHEMBL19696036 0.71 IDO1 (0.47) GSK3BKDM4EGAAMAPT
SCHEMBL30839791 0.71 IDO1 (0.47) GSK3BKDM4EGAAMAPT
SCHEMBL2764856 0.71 IDO1 (0.47) GSK3BKDM4EGAAMAPT
SCHEMBL7476995 0.70 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2GSK3BKDM4EGAA
SCHEMBL7102226 0.70
SCHEMBL21685918 0.68 TNKS2 (0.35) GSK3B
SCHEMBL28128051 0.68 GSK3B (0.48) SMN1; SMN2CYP1A2IDH1GSK3BKDM4E

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 5 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
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 SMN1; SMN2 56/4885CYP1A2 3610/4885IDH1 4123/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 55/4885CYP1A2 3624/4885IDH1 4104/4885

“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.