SCHEMBL7097637

SCHEMBL7097637

CCS(=O)(=O)Nc1cc(C)cc(Cc2c[nH]cn2)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CYP2C9 P11712 1/20 0.32
BRAF P15056 2/20 0.32
PDE10A Q9Y233 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
HTT P42858 1/20 0.31
NR3C1 P04150 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PSIP1 O75475 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL7101637 0.89 NR3C1 (0.39) PDE10ANR3C1PTGS1
SCHEMBL7103450 0.88 BRD4 (0.31) BRD4PDE10AHTT
SCHEMBL7248476 0.88 BRAF (0.34) CYP2C9BRAFPDE10AMRGPRX1HTT
SCHEMBL7248382 0.82 NR3C1 (0.41) CYP2C9PDE10AMRGPRX1HTTNR3C1
SCHEMBL7248995 0.81 BRD4 (0.40) BRD4CYP2C9PDE10AHTTLMNA
SCHEMBL7248295 0.78 PGR (0.37) BRD4BRAFHTTLMNAHPGD
SCHEMBL7248504 0.78 PSIP1 (0.37) BRD4CYP2C9BRAFMRGPRX1PSIP1
SCHEMBL7103402 0.77 MRGPRX1 (0.34) BRAFPDE10AMRGPRX1HTTPTGS1
SCHEMBL7247802 0.76 SLC40A1 (0.33) PDE10AHTTLMNAHPGD
SCHEMBL7254139 0.75 HPGD (0.31) HTTLMNAHPGD

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 1 patent. 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

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 BRD4 26/4885CYP2C9 1355/4885BRAF 2474/4885

“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.