SCHEMBL2967221

SCHEMBL2967221

CC(=O)Nc1ccc2snc(NCCNC(=O)c3ccccn3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GRM4 Q14833 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2973042 0.92 KMT2A (0.47) CFTRKMT2AMEN1SMN1; SMN2GRM4
SCHEMBL2973083 0.83 KMT2A (0.49) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2968291 0.83 KMT2A (0.56) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2964310 0.80 KDM4E (0.47) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2972511 0.78 TP53 (0.57) SMN1; SMN2ALDH1A1
SCHEMBL2977126 0.77 KMT2A (0.49) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2975460 0.76 SMN1; SMN2 (0.60) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2969287 0.75 KMT2A (0.46) CFTRKMT2AMEN1NPC1RAB9A
SCHEMBL2979517 0.74 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2976911 0.74 HTT (0.49) CFTRKMT2AMEN1SMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CFTR 139/4885KMT2A 2900/4885MEN1 4684/4885

“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.