SCHEMBL1665765

SCHEMBL1665765

CC(C)C(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 2/20 0.44
TRPM4 Q8TD43 1/20 0.42
AKR1C3 P42330 7/20 0.42
AKR1C2 P52895 7/20 0.42
GRIK1 P39086 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 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
SCHEMBL1663454 0.83 SMN1; SMN2 (0.48) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL1664302 0.83 KCNK2 (0.44) ALDH1A1KDM4ERAB9AAKR1C3AKR1C2
SCHEMBL1663491 0.83 AKR1C3 (0.40) ALDH1A1KDM4ERAB9AAKR1C3AKR1C2
SCHEMBL1743550 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ATRPM4AKR1C3
SCHEMBL1663199 0.79 AKR1C3 (0.37) ALDH1A1KDM4ERAB9AAKR1C3AKR1C2
SCHEMBL1663903 0.78 CTSK (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1663905 0.78 CTSK (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1663492 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1743408 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ATRPM4GRIK1
SCHEMBL13178173 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ATRPM4GRIK1

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
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
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

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 ALDH1A1 2499/4885KDM4E 2742/4885RAB9A 566/4885

“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.