SCHEMBL7103288

SCHEMBL7103288

CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
PSIP1 O75475 1/20 0.39
KMO O15229 1/20 0.36
MRGPRX1 Q96LB2 3/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA2A P08913 1/20 0.32
PTGS2 P35354 2/20 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
SCHEMBL7481214 0.74 BAZ2B (0.47) BRD4HPGD
SCHEMBL11460490 0.72 BRD4 (0.38) BRD4MAOAMAOBLMNAHPGD
SCHEMBL30070487 0.70 MAOA (0.44) BRD4MAOAMAOBLMNAHSD17B10
SCHEMBL8459403 0.70 MAOA (0.44) BRD4MAOAMAOBLMNAHSD17B10
SCHEMBL4815048 0.68 ADRA2A (0.46) BRD4PSIP1LMNAHPGDADRA2A
SCHEMBL24543321 0.67 NOTUM (0.42) BRD4MAOAMAOBLMNAHPGD
SCHEMBL29673151 0.67 NOTUM (0.42) BRD4MAOAMAOBLMNAHPGD
SCHEMBL30083746 0.67 ALDH1A1 (0.36) BRD4MAOAMAOBLMNAHSD17B10
SCHEMBL28937922 0.67 ALDH1A1 (0.36) BRD4MAOAMAOBLMNAHSD17B10
SCHEMBL7100952 0.67 KMO (0.31) PSIP1KMOMRGPRX1

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 BRD4 26/4885PSIP1 2844/4885KMO 2808/4885

“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.