SCHEMBL18173724

SCHEMBL18173724

c1cnc2c(c1)CSc1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 2/20 0.41
IDH1 O75874 12/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.37
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX12 P18054 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 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
SCHEMBL18173717 0.87 SMN1; SMN2 (0.48) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL4811332 0.77 ALDH1A1 (0.60) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL30401814 0.74 MAPT (0.66) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL459986 0.74 MAPT (0.66) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL11812093 0.74 SRC (0.49) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL15985267 0.74 NPC1 (0.50) SMN1; SMN2GAAMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8317733 0.73 MAPT (0.64) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL4162589 0.73 CYP1A2 (0.50) SMN1; SMN2GAACYP1A2IDH1ALOX15
SCHEMBL7337375 0.69 HTR5A (0.47) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL18173667 0.69 CYP1A2 (0.42) SMN1; SMN2GAACYP1A2IDH1KMT2A

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 56/4885GAA 34/4885MAPT 18/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 55/4885GAA 31/4885MAPT 18/4885

“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.