SCHEMBL2969499

SCHEMBL2969499

NCCC(N)c1nsc2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
EPAS1 Q99814 3/20 0.32
HTR2A P28223 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CA2 P00918 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
SCHEMBL2976861 0.78 MAPT (0.47) CYP2A6EPAS1HTR2A
Ammonia Solution, Strong SCHEMBL3073202 0.74 MAOB (0.37)
SCHEMBL2967902 0.72 MAPK1 (0.39) HTR2A
SCHEMBL27159367 0.70 KDM4E (0.53) CYP2A6PDPK1JAK2EPAS1CA2
SCHEMBL6110093 0.68 LMNA (0.43) CYP2A6EPAS1
SCHEMBL2978969 0.68 CYP1A2 (0.43) EPAS1
SCHEMBL2969582 0.67 EPAS1 (0.41) EPAS1CA2
SCHEMBL2967038 0.66 EPAS1 (0.38) CYP2A6PDPK1JAK2EPAS1
SCHEMBL30481262 0.66 EPAS1 (0.38) CYP2A6PDPK1JAK2EPAS1
SCHEMBL10164894 0.66 EPAS1 (0.38) CYP2A6PDPK1JAK2EPAS1

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 4 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
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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 CYP2A6 969/4885PDPK1 2267/4885JAK2 55/4885

“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.