SCHEMBL18173717

SCHEMBL18173717

c1ccc2c(c1)CSc1cccnc1N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SRC P12931 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
IDH1 O75874 5/20 0.38
ALOX15 P16050 1/20 0.37
MAPK10 P53779 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL18173724 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL4811332 0.77 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL709306 0.75 CYP11B1 (0.46) SMN1; SMN2GAACYP1A2ALDH1A1ALOX15
SCHEMBL30401814 0.74 MAPT (0.66) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL459986 0.74 MAPT (0.66) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL15985267 0.74 NPC1 (0.50) SMN1; SMN2NPC1MAPTKDM4EGAA
SCHEMBL11812093 0.74 SRC (0.49) SMN1; SMN2NPC1RAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL8317733 0.73 MAPT (0.64) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL7337375 0.73 HTR5A (0.47) SMN1; SMN2MAPTHPGDKDM4EGAA
SCHEMBL31243452 0.71

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 SMN1; SMN2 56/4885NPC1 1109/4885RAB9A 409/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 55/4885NPC1 1068/4885RAB9A 388/4885

“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.