SCHEMBL18173729

SCHEMBL18173729

[c]1ccc2c(n1)sc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.33
LIMK1 P53667 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALOX15 P16050 1/20 0.32
ELANE P08246 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7743702 0.73 GPR3 (0.48) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL30376713 0.69 GPR3 (0.54) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL3378060 0.69 GPR3 (0.54) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL22100017 0.69 MAPT (0.49) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL30167635 0.68 GPR3 (1.00) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL13294 0.68 GPR3 (1.00) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL14659543 0.68 GPR3 (1.00) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL24624594 0.67 GPR3 (0.50) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL10943387 0.66 GPR3 (0.93) GPR3MAPTALDH1A1RAB9AHPGD
Dibenzothiophene SCHEMBL9934048 0.66 GPR3 (0.93) GPR3MAPTALDH1A1RAB9AHPGD

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 GPR3 446/4885MAPT 18/4885ALDH1A1 2022/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP GPR3 744/4885MAPT 18/4885ALDH1A1 2025/4885

“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.