SCHEMBL2971509

SCHEMBL2971509

O=C(NCCNc1nsc2ccccc12)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
SRD5A2 P31213 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ITGB3 P05106 4/20 0.47
ITGA2B P08514 3/20 0.47
FLT3 P36888 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 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
SCHEMBL2964179 0.88 KDM4E (0.59) HDAC1HDAC2KDM4EALDH1A1PDGFRB
SCHEMBL2976426 0.85 SRC (0.52) KDM4EALDH1A1HSD17B10PDGFRBPDGFRA
SCHEMBL2976521 0.83 KDM4E (0.57) HDAC1HDAC2KDM4EALDH1A1HSD17B10
SCHEMBL2979341 0.83 KDM4E (0.61) HDAC1HDAC2KDM4EALDH1A1PDGFRB
SCHEMBL2977358 0.83 HRH4 (0.55) HDAC1
SCHEMBL2973157 0.83 HDAC3 (0.49) HDAC1HDAC2KDM4EALDH1A1HPGD
SCHEMBL2974648 0.83 HDAC1 (0.49) HDAC1HDAC2KDM4EALDH1A1HSD17B10
SCHEMBL2976662 0.79 ACHE (0.48) HDAC1HDAC2KDM4EALDH1A1SRD5A2
SCHEMBL2965187 0.78 HDAC1 (0.53) HDAC1HDAC2KDM4EALDH1A1HSD17B10
SCHEMBL7739589 0.77 HDAC1 (0.77) HDAC1HDAC2KDM4EALDH1A1CYP1A2

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 HDAC1 604/4885HDAC2 1008/4885KDM4E 2196/4885

“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.