SCHEMBL1663832

SCHEMBL1663832

C=C(C)C(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PNLIP P16233 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
GRIK1 P39086 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
P2RX1 P51575 1/20 0.38
POLB P06746 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL1663674 0.80 BRAF (0.47) SMN1; SMN2TAS1R3TAS1R1PNLIPNPC1
SCHEMBL1663051 0.77 POLB (0.49) SMN1; SMN2NPC1ALDH1A1P2RX1POLB
SCHEMBL21392904 0.70 ALDH1A1 (0.55) SMN1; SMN2PNLIPRXFP1NPC1TSHR
SCHEMBL8544515 0.69 RXFP1 (0.62) SMN1; SMN2RXFP1NPC1TSHRALDH1A1
SCHEMBL5465425 0.69 TYK2 (0.42) ALDH1A1MAOBMEN1MAPTKMT2A
SCHEMBL12799060 0.69 AKR1C3 (0.60) SMN1; SMN2PNLIPNPC1GRIK1TSHR
SCHEMBL1665765 0.66 ALDH1A1 (0.47) SMN1; SMN2NPC1GRIK1TSHRALDH1A1
SCHEMBL198322 0.65 L3MBTL1 (0.41) ALDH1A1POLBMAOBMEN1MAPT
SCHEMBL17557183 0.64 GLA (0.44) SMN1; SMN2NPC1ALDH1A1POLBMEN1
SCHEMBL14521239 0.64 GRIK1 (0.63) SMN1; SMN2TAS1R3TAS1R1NPC1GRIK1

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 SMN1; SMN2 4016/4885TAS1R3 82/4885TAS1R1 121/4885

“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.