SCHEMBL2963769

SCHEMBL2963769

CN(C)CCCNc1cccc(C(=O)NCCCNc2nsc3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 4/20 0.41
RAD52 P43351 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
TOP2A P11388 1/20 0.40
KCNA3 P22001 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2965476 0.90 HPGD (0.45) ALDH1A1HTTHPGDKCNA3MAPK1
SCHEMBL2977481 0.86 LMNA (0.43) KDM4EHPGDKCNA3MAPK1TP53
SCHEMBL2963493 0.83 APP (0.43) KDM4EHPGDKMT2AMEN1CYP1A2
SCHEMBL13202801 0.82 HDAC2 (0.42) HTTPOLBKMT2AMEN1CSNK2A2
SCHEMBL2976816 0.81 HPGD (0.51) ALDH1A1HPGDKMT2AMEN1KCNA3
SCHEMBL2975478 0.81 KCNA3 (0.44) HPGDKCNA3MAPK1TP53
SCHEMBL2979517 0.80 KDM4E (0.45) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL2967195 0.79 GRM5 (0.40) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2975460 0.78 SMN1; SMN2 (0.60) ALOX15ALDH1A1KMT2AMEN1
SCHEMBL13202537 0.77 BCHE (0.38) TP53

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 ALOX15 948/4885KDM4E 2196/4885ALDH1A1 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.