SCHEMBL7221513

SCHEMBL7221513

CCCCS(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)c(CN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
HTR6 P50406 1/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41
KDR P35968 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
AR P10275 1/20 0.41
ESRRA P11474 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
KIT P10721 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAD52 P43351 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL7222256 0.90 BRD4 (0.47) BRD4HTR6KDRAURKAAURKB
SCHEMBL7220116 0.82 BCL2L1 (0.48) BRD4KDRAURKAAURKBAR
SCHEMBL7226423 0.82 MRGPRX1 (0.45) BRD4KDRAURKAAURKBAR
SCHEMBL8307237 0.80 AR (0.56) BRD4KDRAURKAAURKBAR
SCHEMBL8301095 0.76 RAD52 (0.53) BRD4KDRAURKAAURKBESRRA
SCHEMBL7467297 0.74 HPGD (0.43) BRD4KDRAURKAAURKBAR
SCHEMBL7741836 0.74 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL7222716 0.71 MRGPRX1 (0.54) BRD4KDRARMRGPRX1HPGD
SCHEMBL7159252 0.71 AR (0.57) BRD4KDRAURKAAURKBAR
SCHEMBL8306978 0.69 CREBBP (0.44) BRD4SLC6A4KDRARMRGPRX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573278-B2 For therapy and prophylaxis of cerebral apoplexy and craniocerebral trauma BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
EP-0966436-B1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AG (DE) 2002-12-11 EP disclosed
US-20020072529-A1 Arylsulfonamides and analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-06-13 US disclosed
US-6262112-B1 1-(4,4,4-TRIFLUOROBUTYLSULPHONYLOXY)-3-(2-(HYDROXYMETHYL)INDAN -4-YLOXY)-BENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
EP-0966436-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
WO-1998037061-A1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 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-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA BRD4 870/4885HTR6 421/4885SLC6A4 355/4885

“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.