SCHEMBL7103402

SCHEMBL7103402

CCS(=O)(=O)Nc1cc(Cl)cc(Cc2c[nH]cn2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.34
BRAF P15056 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
S100A9 P06702 4/20 0.32
JAK2 O60674 4/20 0.32
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 0.32
PDE10A Q9Y233 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7097451 0.83 PSIP1 (0.38) MRGPRX1BRAFPTGS1PTGS2PDE10A
SCHEMBL7248995 0.78 BRD4 (0.40) PTGS1PTGS2JAK2JAK1TYK2
SCHEMBL7097637 0.77 BRD4 (0.32) MRGPRX1BRAFPTGS1PTGS2PDE10A
SCHEMBL7097248 0.76 S100A9 (0.37) MRGPRX1PTGS1PTGS2S100A9JAK2
SCHEMBL7248476 0.75 BRAF (0.34) MRGPRX1BRAFJAK2JAK1TYK2
SCHEMBL7103450 0.75 BRD4 (0.31) PDE10AHTT
SCHEMBL7248382 0.74 NR3C1 (0.41) MRGPRX1PDE10AHTT
SCHEMBL7103692 0.73 PSIP1 (0.38) MRGPRX1PDE10AHTT
SCHEMBL7100998 0.73 PSIP1 (0.38) MRGPRX1PDE10AHTT
SCHEMBL7098136 0.73 PSIP1 (0.43) MRGPRX1BRAFJAK2JAK1TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO 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 (1 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A MRGPRX1 351/4885BRAF 2474/4885PTGS1 467/4885

“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.