SCHEMBL3900199

SCHEMBL3900199

O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
RCE1 Q9Y256 1/20 0.44
KCNA5 P22460 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX2 P34913 4/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCKBR P32239 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL3903066 0.94 KCNA5 (0.42) ALDH1A1KDM4ERCE1KCNA5TSHR
SCHEMBL3901987 0.93 CCKBR (0.38) ALDH1A1KDM4ERCE1KCNA5TSHR
SCHEMBL3745340 0.92 MEN1 (0.44) ALDH1A1KDM4ERCE1LMNAMEN1
SCHEMBL3900087 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ERCE1LMNAMEN1
SCHEMBL3899498 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ERCE1KCNA5LMNA
SCHEMBL3903734 0.90 EPHX2 (0.37) ALDH1A1KDM4ERCE1KCNA5TSHR
SCHEMBL3897964 0.90 CCKBR (0.41) ALDH1A1KDM4ERCE1KCNA5TSHR
SCHEMBL3896972 0.90 AKR1B1 (0.38) ALDH1A1KDM4ERCE1KCNA5TSHR
SCHEMBL3903714 0.89 KCNA5 (0.40) ALDH1A1KDM4ERCE1KCNA5LMNA
SCHEMBL3902461 0.88 EPHX2 (0.39) LMNAMEN1KMT2AMAPTEPHX2

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 ALDH1A1 3254/4885KDM4E 4124/4885RCE1 2361/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 ALDH1A1 1824/4885KDM4E 3591/4885RCE1 1895/4885

“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.