SCHEMBL2967147

SCHEMBL2967147

COc1ccc(C(=O)NCCCNc2nsc3ncccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CFTR P13569 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2972800 0.91 KMT2A (0.50) KMT2ANPC1RAB9AMEN1CFTR
SCHEMBL2973135 0.90 KMT2A (0.60) KMT2AMEN1CFTRTDP1GAA
SCHEMBL2979040 0.85 NAMPT (0.43) KMT2ARAB9AMEN1TP53GAA
SCHEMBL2976741 0.83 CFTR (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL2979092 0.82 TRPV1 (0.50) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL2963816 0.82 NPC1 (0.47) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL2967274 0.80 BRD4 (0.44) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2962075 0.80 TP53BP1 (0.49) KMT2AMEN1SMN1; SMN2CFTRTDP1
SCHEMBL2967293 0.79 MCHR1 (0.48) KMT2AMEN1CFTRTDP1
SCHEMBL2977008 0.79 NPC1 (0.47) KMT2ANPC1RAB9AMEN1SMN1; 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 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 KMT2A 2900/4885NPC1 242/4885RAB9A 4073/4885

“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.