SCHEMBL3910046

SCHEMBL3910046

O=C(NCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.39
KCNA5 P22460 1/20 0.36
CCKAR P32238 8/20 0.35
HPGD P15428 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
GPR27 Q9NS67 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
TUBB P07437 1/20 0.32

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
SCHEMBL3901212 0.94 CCKBR (0.42) CCKBRKCNA5CCKARHPGDGPR27
SCHEMBL3906756 0.92 CCKBR (0.33) CCKBRKCNA5CCKAR
SCHEMBL3898248 0.92 ACLY (0.39) CCKBRKCNA5CCKARHPGDFLT1
SCHEMBL3897424 0.92 CCKBR (0.41) CCKBRCCKARFLT1FLT4KDR
SCHEMBL3901987 0.92 CCKBR (0.38) CCKBRKCNA5CCKARHPGD
SCHEMBL3900105 0.91 CCKBR (0.37) CCKBRKCNA5CCKAR
SCHEMBL3909971 0.91 CCKBR (0.41) CCKBRKCNA5CCKAR
SCHEMBL3900373 0.90 CCKBR (0.45) CCKBRKCNA5CCKARHPGDCA1
SCHEMBL3907801 0.89 CCKBR (0.43) CCKBRKCNA5CCKARHPGDCA1
SCHEMBL3899498 0.89 ALDH1A1 (0.44) CCKBRKCNA5CCKARHPGDPOLB

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
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (2 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR CCKBR 1/4885KCNA5 4123/4885CCKAR 2/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885KCNA5 3959/4885CCKAR 2/4885

“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.