SCHEMBL3901726

SCHEMBL3901726

O=C(NCc1ccc(Br)cc1)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.46
AKR1B1 P15121 1/20 0.42
KCNA5 P22460 1/20 0.40
TUBB P07437 2/20 0.37
CCKAR P32238 5/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDH1 O75874 1/20 0.35
WDR5 P61964 2/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL3900373 0.95 CCKBR (0.45) CCKBRKCNA5TUBBCCKARCA1
SCHEMBL3912166 0.92 CCKBR (0.42) CCKBRKCNA5TUBBCCKARCA1
SCHEMBL3907801 0.90 CCKBR (0.43) CCKBRKCNA5TUBBCCKARCA1
SCHEMBL3899820 0.89 AKR1B1 (0.46) CCKBRAKR1B1KCNA5CCKARWDR5
SCHEMBL3897964 0.88 CCKBR (0.41) CCKBRAKR1B1KCNA5IDH1FLT1
SCHEMBL3910046 0.87 CCKBR (0.39) CCKBRKCNA5TUBBCCKARCA1
SCHEMBL3907644 0.87 PRNP (0.43) CCKBRKCNA5CCKARHPGD
SCHEMBL3897424 0.87 CCKBR (0.41) CCKBRCCKARWDR5FLT1FLT4
SCHEMBL3901987 0.86 CCKBR (0.38) CCKBRKCNA5CCKARHPGDIDH1
SCHEMBL3901212 0.86 CCKBR (0.42) CCKBRKCNA5CCKARHPGD

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-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-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 (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-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885AKR1B1 3633/4885KCNA5 3959/4885

“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.