SCHEMBL5935239

SCHEMBL5935239

CNc1ncccc1-c1noc(-c2ccc(-c3ccsc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CHEK2 O96017 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 5/20 0.40
TP53 P04637 4/20 0.40
HSD17B10 Q99714 3/20 0.40
PKM P14618 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL5498675 0.83 NR1H4 (0.50) SMN1; SMN2RAB9AMAPTTP53HSD17B10
SCHEMBL5505314 0.77 S1PR1 (0.60) SMN1; SMN2RAB9AMAPTTP53ALDH1A1
SCHEMBL5935221 0.75 MAPT (0.44) SMN1; SMN2RAB9AMAPTTP53HSD17B10
SCHEMBL5494614 0.74 RAB9A (0.48) SMN1; SMN2RAB9AMAPTTP53PKM
SCHEMBL5493325 0.72 S1PR1 (0.47)
SCHEMBL5499180 0.71 CASP3 (0.50) SMN1; SMN2RAB9AMAPTTP53PKM
SCHEMBL13455805 0.70 S1PR1 (0.45) SMN1; SMN2RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL9108399 0.69 MAPT (0.39) PPARASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL5935227 0.68 S1PR1 (0.43)
SCHEMBL9107746 0.67 PDE4A (0.37) SMN1; SMN2MAPTNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. 2006-11-09 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 (1 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-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists S1PR1, S1PR3, S1PR5 PPARA 597/4885CA2 4666/4885CA9 4832/4885

“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.