SCHEMBL5880500

SCHEMBL5880500

CCCC[Sn](CCCC)(CCCC)c1cnccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.41
NAMPT P43490 2/20 0.40
CNR2 P34972 1/20 0.39
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
BRS3 P32247 1/20 0.35
METAP1 P53582 1/20 0.35
LATS1 O95835 2/20 0.34

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
SCHEMBL1288379 0.91 CYP17A1 (0.41) CYP17A1NAMPTCNR2KDM6BKDM4C
SCHEMBL6624548 0.83 CNR2 (0.46) CNR2METAP1
SCHEMBL23674773 0.77 CYP17A1 (0.48) CYP17A1NAMPTRAB9ABRS3METAP1
SCHEMBL18522430 0.76 NAMPT (0.50) CYP17A1NAMPTKDM4CRAB9ABRS3
SCHEMBL22498554 0.76 NAMPT (0.44) CYP17A1NAMPT
SCHEMBL6515388 0.75 CYP17A1 (0.40) CYP17A1NAMPTCNR2KDM6BKDM4C
SCHEMBL536056 0.75 NOD2 (0.50) CYP17A1NAMPTRAB9AMETAP1
SCHEMBL31707395 0.75 NOD2 (0.50) CYP17A1NAMPTRAB9AMETAP1
SCHEMBL5746768 0.75 CYP17A1 (0.46) CYP17A1NAMPTKDM6BKDM4CRAB9A
SCHEMBL31437242 0.74 KDM6B (0.41) CNR2KDM6BKDM4CRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 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 (2 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP17A1 418/4885NAMPT 3334/4885CNR2 48/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CYP17A1 425/4885NAMPT 3354/4885CNR2 54/4885

“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.