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SCHEMBL3906706

SCHEMBL3906706

CC(NC(=O)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CCKBR P32239 5/20 0.34
▸ KCNK3 O14649 2/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ CCKAR P32238 4/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3904144 0.92 L3MBTL1 (0.47) L3MBTL1POLBCNR1CNR2CCKBR
SCHEMBL1890458 0.91 CCKBR (0.33) L3MBTL1CCKBRCCKAR
SCHEMBL3897005 0.90 PTGER4 (0.39) ROCK2ROCK1CCKBRKCNK3KCNA5
SCHEMBL3901296 0.89 CCKBR (0.39) L3MBTL1POLBCCKBRKCNA5CCKAR
SCHEMBL3902088 0.87 CCKBR (0.33) CCKBRCCKAR
SCHEMBL3907629 0.84 NR1I2 (0.33) PPARGPDE2A
SCHEMBL3909962 0.83 L3MBTL1 (0.38) L3MBTL1POLBCCKBRCCKAR
SCHEMBL5442656 0.83 KCNA5 (0.42) POLBCCKBRKCNA5CCKARKDM4E
SCHEMBL3909064 0.83 KCNA5 (0.42) POLBCCKBRKCNA5CCKARKDM4E
SCHEMBL3895732 0.82 KCNA5 (0.35) POLBCCKBRKCNA5CCKARPDE2A

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 L3MBTL1 1202/4885POLB 4576/4885CNR1 370/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 L3MBTL1 1113/4885POLB 4671/4885CNR1 468/4885

“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.