SCHEMBL2966685

SCHEMBL2966685

COc1ccc(NCCC(N)c2nsc3ccccc23)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.40
HDAC1 Q13547 2/20 0.35
FYN P06241 2/20 0.33
MMP13 P45452 1/20 0.32
PTPN11 Q06124 1/20 0.32
ATM Q13315 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
BTK Q06187 1/20 0.32
MAPT P10636 1/20 0.31
APP P05067 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
SCHEMBL2961817 0.84 POLB (0.34) EPAS1MAPT
SCHEMBL2977609 0.81 RAB9A (0.42)
SCHEMBL2979617 0.80 TAAR1 (0.38) EPAS1HDAC1MAPT
SCHEMBL5293311 0.78 EPAS1 (0.52) EPAS1MAPT
SCHEMBL2978855 0.77 EPAS1 (0.37) EPAS1MAPT
SCHEMBL2977750 0.76 KMT2A (0.45)
SCHEMBL2969567 0.76 KMT2A (0.43) EPAS1ATM
SCHEMBL2976524 0.76 ALDH1A1 (0.33) EPAS1MAPT
SCHEMBL2969548 0.76 HSD17B10 (0.40) MAPT
SCHEMBL2978835 0.74 EPAS1 (0.41) EPAS1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
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 EPAS1 917/4885HDAC1 604/4885FYN 2239/4885

“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.