SCHEMBL3902502

SCHEMBL3902502

O=C(NCc1c(Cl)cccc1Cl)c1ccc(I)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.34
CCKAR P32238 3/20 0.34
KCNA5 P22460 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RCE1 Q9Y256 1/20 0.32
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL3906756 0.93 CCKBR (0.33) CCKBRCCKARKCNA5
SCHEMBL3901212 0.92 CCKBR (0.42) CCKBRCCKARKCNA5KDM4EALDH1A1
SCHEMBL3900434 0.90 CCKBR (0.43) CCKBRCCKARKDM4EALDH1A1RCE1
SCHEMBL3901306 0.89 ALDH1A1 (0.43) KCNA5KDM4EALDH1A1RCE1
SCHEMBL3900397 0.88 KDM4E (0.32) CCKBRCCKARKDM4EALDH1A1
SCHEMBL3896972 0.88 AKR1B1 (0.38) CCKBRCCKARKCNA5KDM4EALDH1A1
SCHEMBL3900184 0.86 ROCK2 (0.36) ROCK2ROCK1
SCHEMBL3910046 0.85 CCKBR (0.39) CCKBRCCKARKCNA5
SCHEMBL3903849 0.85 AKR1B1 (0.36) KCNA5KDM4EALDH1A1MET
SCHEMBL3909971 0.85 CCKBR (0.41) CCKBRCCKARKCNA5ROCK2ROCK1

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 1/4885CCKAR 2/4885KCNA5 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.