SCHEMBL2969931

SCHEMBL2969931

COc1cc(CNCCC(N)c2nsc3ccccc23)c(OCc2ccccc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 10/20 0.41
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
GAA P10253 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2977029 0.80 BCHE (0.52) KDM4EL3MBTL1KMT2ASMN1; SMN2BCHE
SCHEMBL2973227 0.80 SMPD1 (0.39) KMT2ADPP7
SCHEMBL13202717 0.80 BCHE (0.44) KDM4EL3MBTL1LMNAKMT2AHTT
SCHEMBL2968831 0.79 KMT2A (0.40) KDM4EL3MBTL1LMNAKMT2AHTT
SCHEMBL2977398 0.79 KMT2A (0.41) KDM4EL3MBTL1LMNAKMT2AMAPT
SCHEMBL2977238 0.78 CHRM2 (0.47) KDM4EKMT2ABCHEMAPTALDH1A1
SCHEMBL2978835 0.74 EPAS1 (0.41) L3MBTL1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL2977514 0.74 CASR (0.41) KDM4EKMT2AHTTSMN1; SMN2BCHE
SCHEMBL2969567 0.74 KMT2A (0.43) LMNAKMT2AHTTSMN1; SMN2BCHE
SCHEMBL2969371 0.74 PDE4B (0.38) KDM4ELMNAKMT2AHTTSMN1; SMN2

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
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 KDM4E 2196/4885L3MBTL1 2332/4885LMNA 4468/4885

“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.