SCHEMBL2977145

SCHEMBL2977145

CC(C)c1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PARP1 P09874 9/20 0.44
METAP2 P50579 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
BCAT2 O15382 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL1832020 0.92 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL3628076 0.88 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL458410 0.88 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL16592837 0.88 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL6951207 0.88 KDM4E (0.55) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL30797325 0.88 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL30797245 0.86 IRAK4 (0.43) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL20970373 0.86 IRAK4 (0.43) IRAK4KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL29160773 0.86 IRAK4 (0.43) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL2882576 0.86 IRAK4 (0.44) IRAK4KDM4EALDH1A1MAPTHPGD

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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS IRAK4 2802/4885KDM4E 2196/4885ALDH1A1 227/4885

“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.