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Sugi Predict / Compounds / SCHEMBL1664438

SCHEMBL1664438

SCHEMBL1664438

Cc1ccc(-n2c(C(C)C)nc3c(CO)c(O)ccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35

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
SCHEMBL15957770 0.91 RAB9A (0.43) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL1664062 0.89 ESR1 (0.42) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL15957757 0.88 RAB9A (0.42) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL1663457 0.87 ESR1 (0.43) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL1663348 0.86 TRPV1 (0.60) ESR1ESR2TRPV1KCNH2HRH3
SCHEMBL11931962 0.86 TRPV1 (0.47) RAB9AESR1ESR2TRPV1SMN1; SMN2
SCHEMBL15957768 0.85 RAB9A (0.45) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL1663358 0.84 ESR1 (0.40) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL15957771 0.83 RAB9A (0.45) RAB9AESR1ESR2TRPV1ALDH1A1
SCHEMBL15957767 0.83 RAB9A (0.45) RAB9AESR1ESR2TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 — — EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 RAB9A 566/4885ESR1 1321/4885ESR2 2159/4885

“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.