SCHEMBL3900281

SCHEMBL3900281

CN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CCKBR P32239 5/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LIMK2 P53671 3/20 0.34
CCKAR P32238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL3897448 0.92 CCKBR (0.41) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3902468 0.92 CCKBR (0.42) KMT2AMAPTCCKBRPOLBGAA
SCHEMBL3900463 0.91 MEN1 (0.33) KMT2ACCKBR
SCHEMBL3896521 0.91 KMT2A (0.38) KMT2ACCKBRPOLBGAATDP1
SCHEMBL3900438 0.91 CCKBR (0.44) KMT2ATP53MAPTCCKBRPOLB
SCHEMBL3901443 0.89 KMT2A (0.37) KMT2AMAPTCCKBRPOLBGAA
SCHEMBL3909921 0.89 KMT2A (0.42) KMT2AMAPTCCKBRPOLBGAA
SCHEMBL3900812 0.89 MEN1 (0.32) KMT2ACCKBR
SCHEMBL3902511 0.85 CCKBR (0.46) KMT2ATP53CCKBRPOLBGAA
SCHEMBL3902088 0.85 CCKBR (0.33) CCKBRCCKAR

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 KMT2A 3053/4885TP53 2249/4885MAPT 4478/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KMT2A 3281/4885TP53 3393/4885MAPT 4689/4885

“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.