SCHEMBL2977600

SCHEMBL2977600

O=C(NCCNc1nsc2ccccc12)c1ccc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
MAPK8 P45983 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNA3 P22001 1/20 0.40
HIF1A Q16665 1/20 0.40
ESR1 P03372 1/20 0.40
LMNA P02545 1/20 0.40
TNKS O95271 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL2974074 0.81 HTR1A (0.51) TP53ALDH1A1KCNA3LMNAMAPT
SCHEMBL2978886 0.81 L3MBTL1 (0.48) TP53ALDH1A1KCNA3MAPK1
SCHEMBL2968393 0.81 KCNA3 (0.50) TP53ALDH1A1KCNA3LMNAMAPT
SCHEMBL2979114 0.80 HPGD (0.54) HDAC1TP53KCNA3LMNAMAPT
SCHEMBL2978603 0.80 KCNA3 (0.47) HDAC3HDAC1TP53KCNA3LMNA
SCHEMBL2978053 0.80 TP53 (0.47) TP53ALDH1A1KCNA3MAPTNPC1
SCHEMBL2979497 0.80 LMNA (0.56) TP53ALDH1A1KCNA3LMNAMAPT
SCHEMBL2968325 0.80 KCNA3 (0.49) TP53ALDH1A1KCNA3LMNAMAPT
SCHEMBL2969681 0.80 KCNA3 (0.49) MAPK8HDAC3HDAC1TP53KCNA3
SCHEMBL2977162 0.80 MAPT (0.53) TP53ALDH1A1KCNA3LMNAMAPT

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 NAMPT 124/4885MAPK8 2741/4885HDAC3 928/4885

“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.