SCHEMBL3626867

SCHEMBL3626867

Oc1cnc(-c2nsc3ccccc23)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPAS1 Q99814 8/20 0.37
IDO1 P14902 1/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERN1 O75460 1/20 0.33
MMP3 P08254 1/20 0.32
GRM4 Q14833 1/20 0.31
SORD Q00796 1/20 0.31

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
SCHEMBL30987223 0.80 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL28563540 0.80 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL5548021 0.71 ADORA2A (0.47) KDM4EALDH1A1IDO1ERN1
SCHEMBL38652106 0.69 CYP1A2 (0.45) MAPTALDH1A1IDO1SMN1; SMN2
SCHEMBL6964514 0.69 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL10570943 0.68 KDM4E (0.40) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL911402 0.68 MAPT (0.56) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL27697091 0.67 LRRK2 (0.50) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL11209712 0.67 KDM4E (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL10642216 0.65 IDO1 (0.50) MAPTKDM4EALDH1A1HSD17B10IDO1

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-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E MAPT 4483/4885KDM4E 2075/4885ALDH1A1 431/4885

“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.