SCHEMBL2979046

SCHEMBL2979046

O=C(NCCNc1nsc2ccccc12)c1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.45
GRIN1 Q05586 1/20 0.43
EPAS1 Q99814 1/20 0.42
S1PR2 O95136 1/20 0.41
ALOX15 P16050 3/20 0.39
HRH4 Q9H3N8 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PYGL P06737 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2977358 0.85 HRH4 (0.55) HRH4HDAC3HDAC1PYGL
SCHEMBL2976521 0.83 KDM4E (0.57) HRH4HDAC3HDAC1KDM4EALDH1A1
SCHEMBL2976891 0.81 EPAS1 (0.52) EPAS1MAPT
SCHEMBL2971168 0.80 KMT2A (0.53) EPAS1KDM4EALDH1A1MAPT
SCHEMBL2976426 0.80 SRC (0.52) HRH4KDM4EALDH1A1HSD17B10MAPT
SCHEMBL2974648 0.79 HDAC1 (0.49) HRH4HDAC3HDAC1KDM4EALDH1A1
SCHEMBL2973157 0.79 HDAC3 (0.49) HRH4HDAC3HDAC1KDM4EALDH1A1
SCHEMBL2976662 0.78 ACHE (0.48) HDAC3HDAC1KDM4EALDH1A1MAPT
SCHEMBL2978627 0.78 MEN1 (0.52) EPAS1
SCHEMBL2979114 0.78 HPGD (0.54) HDAC1MAPT

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 9 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
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 RHEB 2590/4885GRIN1 4676/4885EPAS1 917/4885

“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.