SCHEMBL2973227

SCHEMBL2973227

COc1ccc(-c2ccccc2CNCCC(N)c2nsc3ccccc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.39
SOS1 Q07889 4/20 0.39
HTR6 P50406 1/20 0.36
KRAS P01116 2/20 0.36
CD274 Q9NZQ7 2/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
PDCD1 Q15116 1/20 0.35
SLC2A1 P11166 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KIT P10721 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL2977398 0.88 KMT2A (0.41) SMPD1MEN1KMT2AHPGDHSD17B10
SCHEMBL2978835 0.87 EPAS1 (0.41) SOS1MEN1KMT2A
SCHEMBL2968831 0.86 KMT2A (0.40) SMPD1MEN1KMT2AHPGDHSD17B10
SCHEMBL6109375 0.80 HTR2A (0.38) HTR6CD274PDCD1MEN1KMT2A
SCHEMBL6109351 0.80 SLC2A1 (0.40) SMPD1SOS1KRASSLC2A1
SCHEMBL2969931 0.80 KDM4E (0.42) KMT2ADPP7
SCHEMBL2969371 0.79 PDE4B (0.38) HTR6CD274MEN1KMT2A
SCHEMBL2969567 0.77 KMT2A (0.43) HTR6MEN1KMT2A
SCHEMBL2977514 0.76 CASR (0.41) HTR6MEN1KMT2A
SCHEMBL2977238 0.75 CHRM2 (0.47) MEN1KMT2A

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 SMPD1 2927/4885SOS1 3340/4885HTR6 3864/4885

“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.