SCHEMBL3907629

SCHEMBL3907629

C[C@@H](NC(=O)c1ccc(F)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
SCN1A P35498 1/20 0.33
SCN1B Q07699 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SLC22A2 O15244 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
PPARG P37231 1/20 0.32
PDE2A O00408 4/20 0.31
PDPK1 O15530 1/20 0.31
NTRK1 P04629 2/20 0.31
ALK Q9UM73 1/20 0.31
RECQL P46063 1/20 0.31
MRGPRX1 Q96LB2 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
SCHEMBL3899480 0.95 GPR139 (0.34) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL5728253 0.94 NR1I2 (0.33) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL3900169 0.94 CCR2 (0.37) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL1890458 0.94 CCKBR (0.33) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL3903821 0.94 NR1I2 (0.33) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL3902491 0.93 KCNA5 (0.38) PPARGPDPK1RECQLMRGPRX1
SCHEMBL3899485 0.93 PDE2A (0.40) GPR139PDE2A
SCHEMBL3896549 0.90 L3MBTL1 (0.38) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL3901585 0.90 KCNA5 (0.38) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL3902499 0.87 PDPK1 (0.32) SLC22A2GPR139PPARGPDPK1

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 5 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
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 NR1I2 45/4885SCN1A 3253/4885SCN1B 2252/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 NR1I2 42/4885SCN1A 2748/4885SCN1B 1562/4885

“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.