Sugi Predict

Sugi Predict / Compounds / SCHEMBL6669083

SCHEMBL6669083

SCHEMBL6669083

CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.48
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7099722 1.00 KCNH2 (0.48) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7096914 0.91 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7098785 0.91 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7098790 0.91 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6668545 0.88 KCNH2 (0.50) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7098725 0.88 KCNH2 (0.50) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6667567 0.88 KCNH2 (0.50) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5455435 0.87 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL14432075 0.86 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL5464633 0.86 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDPOLB

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
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 — — EP claimed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 — — US claimed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 — — WO claimed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 — — EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 — — US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 — — 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KCNH2 143/4885KDM4E 1886/4885ALDH1A1 781/4885

“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.