SCHEMBL7097248

SCHEMBL7097248

CCS(=O)(=O)Nc1cc(Cc2c[nH]cn2)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 3/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
MRGPRX1 Q96LB2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSIP1 O75475 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MCL1 Q07820 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL7105179 0.86 HPGD (0.39) HPGDLMNAHTTSMN1; SMN2BRD4
SCHEMBL7098136 0.85 PSIP1 (0.43) HPGDLMNAHTTSMN1; SMN2ADRA2A
SCHEMBL5612868 0.78 ADRA1A (0.59) HPGDLMNAHTTSMN1; SMN2BRD4
SCHEMBL7248504 0.77 PSIP1 (0.37) BRD4ADRA2AADRA1AJAK2JAK1
SCHEMBL7097451 0.76 PSIP1 (0.38) ADRA2AADRA1AMRGPRX1PSIP1PTGS1
SCHEMBL7103402 0.76 MRGPRX1 (0.34) S100A9HTTJAK2JAK1TYK2
SCHEMBL7099288 0.75 MAPT (0.43) HPGDLMNAHTTSMN1; SMN2BRD4
SCHEMBL7102177 0.74 ADRA2A (0.56) ADRA2AADRA1A
SCHEMBL7248995 0.72 BRD4 (0.40) HPGDLMNAHTTSMN1; SMN2BRD4
SCHEMBL7148669 0.72 BRD4 (0.41) SMN1; SMN2BRD4ADRA2AADRA1AMAPT

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 S100A9 3132/4885HPGD 2765/4885LMNA 3579/4885

“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.