SCHEMBL2977330

SCHEMBL2977330

O=C(NCCNc1nsc2ccccc12)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 2/20 0.60
APEX1 P27695 1/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.44
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
HRH4 Q9H3N8 2/20 0.41
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FBP1 P09467 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2976521 0.81 KDM4E (0.57) MAPK1HRH4HTR1ADRD2HTR2A
SCHEMBL2976426 0.76 SRC (0.52) MAPTNPC1RAB9AHRH4DRD2
SCHEMBL2979218 0.76 SMN1; SMN2 (0.58) MAPTMAPK1ALDH1A1
SCHEMBL2977358 0.76 HRH4 (0.55) PYGLHRH4
SCHEMBL2974648 0.76 HDAC1 (0.49) MAPTNPC1RAB9AHRH4DRD2
SCHEMBL2973157 0.76 HDAC3 (0.49) APEX1TDP1HRH4HTR1ADRD2
SCHEMBL2304168 0.75 PLCG2 (1.00) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL2976662 0.74 ACHE (0.48) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2964179 0.73 KDM4E (0.59) PLCG2MAPTNPC1RAB9ADRD2
SCHEMBL2979046 0.72 RHEB (0.45) MAPTPYGLHRH4KDM4EALDH1A1

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 8 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
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 PLCG2 4362/4885APEX1 3805/4885MAPT 2483/4885

“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.