SCHEMBL2962232

SCHEMBL2962232

O=C(NCCNc1nsc2ccccc12)c1ccc(F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.45
HDAC1 Q13547 6/20 0.45
IDO1 P14902 5/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 2/20 0.41
EPAS1 Q99814 2/20 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
SCHEMBL2978603 0.90 KCNA3 (0.47) KCNA3HDAC1HDAC3MAPTTP53
SCHEMBL2979089 0.84 EPAS1 (0.52) KCNA3MAPTTP53LMNAEPAS1
SCHEMBL2977086 0.83 KCNA3 (0.44) KCNA3HDAC1HDAC4HDAC6MAPT
SCHEMBL2978053 0.83 TP53 (0.47) KCNA3MAPTTP53EPAS1
SCHEMBL2974074 0.82 HTR1A (0.51) KCNA3MAPTTP53LMNAEPAS1
SCHEMBL2976891 0.82 EPAS1 (0.52) KCNA3MAPTTP53LMNAEPAS1
SCHEMBL2962022 0.82 TP53 (0.45) KCNA3TP53
SCHEMBL2968393 0.82 KCNA3 (0.50) KCNA3MAPTTP53LMNAEPAS1
SCHEMBL2971652 0.81 MAPT (0.45) KCNA3MAPTTP53LMNAEPAS1
SCHEMBL2979114 0.81 HPGD (0.54) KCNA3HDAC1HDAC4HDAC7HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
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 KCNA3 4492/4885HDAC1 604/4885IDO1 353/4885

“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.