SCHEMBL2979341

SCHEMBL2979341

COc1ccc2[nH]c(C(=O)NCCCNc3nsc4ccccc34)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HDAC3 O15379 4/20 0.55
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53

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 0.95 KDM4E (0.59) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2965187 0.87 HDAC1 (0.53) KDM4EMAPTALDH1A1HDAC3HDAC1
SCHEMBL2974745 0.84 KDM4E (0.54) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2976662 0.83 ACHE (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2971509 0.83 HDAC1 (0.57) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2974648 0.83 HDAC1 (0.49) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2976426 0.82 SRC (0.52) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2976521 0.81 KDM4E (0.57) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2977358 0.81 HRH4 (0.55) HDAC3HDAC1
SCHEMBL2973157 0.81 HDAC3 (0.49) KDM4EALDH1A1HDAC3HDAC1HDAC2

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 KDM4E 2196/4885MAPT 2483/4885ALDH1A1 227/4885

“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.