SCHEMBL29656701

SCHEMBL29656701

Clc1cnc(N2CCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
CNR2 P34972 2/20 0.42
GRM2 Q14416 3/20 0.41
OGA O60502 1/20 0.40
DRD4 P21917 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12874013 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRNPC1MAPT
SCHEMBL29656717 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRNPC1MAPT
SCHEMBL29843828 0.87 GRM2 (0.40) ALDH1A1SMN1; SMN2TSHRNPC1MAPT
SCHEMBL4476809 0.80 KDM4E (0.59) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL23467846 0.80 POLB (0.58) ALDH1A1TSHRGPR119CNR2POLB
SCHEMBL12874114 0.79 GPR119 (0.60) GPR119GRM2KCNH2
Hydrochloric Acid SCHEMBL21521887 0.79 KDM4E (0.62) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12490138 0.79 GPR119 (0.42) ALDH1A1GPR119GRM2OGADRD4
Hydrochloric Acid SCHEMBL23305296 0.79 KDM4E (0.62) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL23323432 0.77 PTPN11 (0.49) TSHRGPR119GRM2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 US 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-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR27, GCGR ALDH1A1 2116/4885SMN1; SMN2 3806/4885TSHR 356/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 ALDH1A1 1111/4885SMN1; SMN2 3353/4885TSHR 510/4885

“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.