SCHEMBL1743554

SCHEMBL1743554

Cc1ccc(OC(=O)C(C)C)cc1NC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ELANE P08246 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL26417680 0.83 ELANE (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1743550 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9AELANEKMT2A
SCHEMBL1663454 0.81 SMN1; SMN2 (0.48) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL91073 0.78 GAA (0.53) ALDH1A1NPC1RAB9AHSD17B10LMNA
SCHEMBL9619687 0.77 ELANE (0.53) ALDH1A1KDM4EELANEKMT2AMEN1
SCHEMBL13883703 0.77 KMT2A (0.54) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL13936274 0.77 GAA (0.49) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL17355713 0.76 ELANE (0.51) NPC1RAB9AELANEKMT2A
SCHEMBL3657487 0.76 ACHE (0.54) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL17845269 0.76 MAPT (0.55) ALDH1A1KDM4EHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387440-B1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2016-11-09 EP disclosed
EP-2387440-B1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2016-11-09 EP disclosed
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 US disclosed
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 US disclosed
EP-2387440-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS Novartis AG (CH) 2011-11-23 EP disclosed
US-20110254530-A1 FAULT PROTECTED CURRENT SOURCE FOR LIGHTING ELEMENT TESTING VEKTREX ELECTRONIC SYSTEMS, INC. 2011-10-20 US disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 US disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 US disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 US disclosed
WO-2010084050-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-07-29 WO disclosed
WO-2010084050-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-07-29 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-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists KCNA4, KCNA3, KCNB1 ALDH1A1 1332/4885KDM4E 1546/4885NPC1 2787/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 ALDH1A1 876/4885KDM4E 1597/4885NPC1 3417/4885

“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.