SCHEMBL5262176

SCHEMBL5262176

CN(C)S(=O)(=O)c1ccccc1C[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MCL1 Q07820 1/20 0.38
KCNJ6 P48051 3/20 0.38
KCNJ5 P48544 3/20 0.38
KCNJ3 P48549 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDPK1 O15530 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL14498350 0.86 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL9269064 0.82 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL8511667 0.82 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL5264048 0.82 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
Hydrochloric Acid SCHEMBL1017753 0.81 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL11106073 0.79 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL31721589 0.79 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL2043251 0.77 MEN1 (0.42) ALDH1A1HTTSMN1; SMN2LMNACTSB
SCHEMBL1511248 0.77 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2POLBPTGDR2
SCHEMBL11324205 0.77 PTGDR2 (0.45) ALDH1A1HTTSMN1; SMN2POLBPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 US claimed
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 US disclosed
WO-2005005397-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 ALDH1A1 318/4885HTT 4225/4885SMN1; SMN2 4747/4885

“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.