SCHEMBL7100952

SCHEMBL7100952

CCS(=O)(=O)Nc1cc(F)cc2c1CCC=C2c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.31
BRAF P15056 3/20 0.31
MRGPRX1 Q96LB2 2/20 0.31
PSIP1 O75475 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL7104848 0.75 ADRA2A (0.33)
SCHEMBL7098572 0.72 ADRA1A (0.38)
SCHEMBL7103288 0.67 BRD4 (0.40) KMOMRGPRX1PSIP1
SCHEMBL7248476 0.65 BRAF (0.34) BRAFMRGPRX1PSIP1
SCHEMBL7103403 0.65 ADRA2A (0.33)
SCHEMBL7097676 0.63 ADRA2A (0.34) BRAFMRGPRX1
SCHEMBL7248142 0.63 MRGPRX1 (0.35) BRAFMRGPRX1PSIP1ALOX5APFEN1
SCHEMBL27624078 0.62 HPGD (0.36) KMOPSIP1
SCHEMBL7105252 0.62 HSD11B1 (0.36)
SCHEMBL7097701 0.61 ALDH1A1 (0.39)

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 KMO 2808/4885BRAF 2474/4885MRGPRX1 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.