SCHEMBL3901585

SCHEMBL3901585

C[C@@H](NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.38
MRGPRX1 Q96LB2 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CCR2 P41597 2/20 0.35
NR1I2 O75469 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL3900169 0.95 CCR2 (0.37) KCNA5LMNAALDH1A1MAPK1TAS1R3
SCHEMBL3902491 0.91 KCNA5 (0.38) KCNA5MRGPRX1MAPTHTTKMT2A
SCHEMBL3896537 0.91 L3MBTL1 (0.40) KCNA5LMNAMAPTKMT2A
SCHEMBL3907629 0.90 NR1I2 (0.33) MRGPRX1NR1I2SCN1ASCN1BSCN5A
SCHEMBL3896549 0.89 L3MBTL1 (0.38) KCNA5MRGPRX1LMNAMAPTKMT2A
SCHEMBL3899480 0.88 GPR139 (0.34) KCNA5LMNAMAPTKMT2ANR1I2
SCHEMBL3903821 0.87 NR1I2 (0.33) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL5728253 0.87 NR1I2 (0.33) NR1I2SCN1ASCN1BSCN5ASCN8A
SCHEMBL1890458 0.87 CCKBR (0.33) TP53MAPTNR1I2SCN1ASCN1B
SCHEMBL3899485 0.85 PDE2A (0.40)

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 KCNA5 4123/4885MRGPRX1 2134/4885LMNA 4502/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KCNA5 3959/4885MRGPRX1 2219/4885LMNA 4407/4885

“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.