SCHEMBL2977960

SCHEMBL2977960

O=C(NCCCNc1nsc2ccccc12)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
TP53 P04637 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACKR3 P25106 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NAMPT P43490 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL2962211 0.88 TP53 (0.51) KCNA3TP53MAPTTMEM97SIGMAR1
SCHEMBL13220742 0.88 TP53 (0.51) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2977850 0.88 MEN1 (0.55) KCNA3TP53MAPTMEN1KMT2A
SCHEMBL2977856 0.87 TP53 (0.55) KCNA3TP53MAPT
SCHEMBL2969571 0.84 TMEM97 (0.52) KCNA3TP53MAPTTMEM97SIGMAR1
SCHEMBL2978865 0.84 TP53 (0.55) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2977531 0.84 TP53 (0.53) KCNA3TP53MAPTHTR1ADRD2
SCHEMBL2978543 0.84 TMEM97 (0.53) KCNA3TP53NPC1RAB9AMAPT
SCHEMBL2979536 0.83 TP53 (0.46) KCNA3TP53HTR1ADRD2HTR2A
SCHEMBL2975993 0.83 KCNA3 (0.50) KCNA3TP53NPC1RAB9AMAPT

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 4492/4885TP53 561/4885NPC1 242/4885

“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.