SCHEMBL7097451

SCHEMBL7097451

CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.38
PDE10A Q9Y233 1/20 0.37
MRGPRX1 Q96LB2 2/20 0.36
ADRA2A P08913 3/20 0.35
BRAF P15056 3/20 0.35
PARP14 Q460N5 1/20 0.34
ADRA1A P35348 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7149258 0.89 ALDH1A1 (0.39) PDE10ABRAFPTGS1
SCHEMBL7248382 0.86 NR3C1 (0.41) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7100998 0.85 PSIP1 (0.38) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7103692 0.85 PSIP1 (0.38) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7104778 0.83 PDE10A (0.42) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7103402 0.83 MRGPRX1 (0.34) PDE10AMRGPRX1BRAFPTGS1PTGS2
Maleic Acid SCHEMBL7508871 0.79 KCNA5 (0.34) PSIP1PDE10AMRGPRX1ADRA2APARP14
Fumaric Acid SCHEMBL7508895 0.79 KCNA5 (0.34) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7508889 0.78 PDE10A (0.35) PSIP1PDE10AMRGPRX1ADRA2APARP14
SCHEMBL7097248 0.76 S100A9 (0.37) PSIP1MRGPRX1ADRA2AADRA1APTGS1

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 PSIP1 2844/4885PDE10A 250/4885MRGPRX1 351/4885

“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.