SCHEMBL1743550

SCHEMBL1743550

CC(C)C(=O)Nc1cc(OC(=O)C(C)C)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 1/20 0.47
ELANE P08246 2/20 0.45
AKR1C3 P42330 7/20 0.44
AKR1C2 P52895 7/20 0.44
TRPM4 Q8TD43 1/20 0.44
GRIK1 P39086 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 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
SCHEMBL1743554 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AELANEMEN1
SCHEMBL1665765 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9AAKR1C3AKR1C2
SCHEMBL26417680 0.81 ELANE (0.46) ALDH1A1KDM4ERAB9AELANEMEN1
SCHEMBL1743408 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9ATRPM4GRIK1
SCHEMBL7780345 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EELANEAKR1C3AKR1C2
SCHEMBL12798622 0.77 GRIK1 (0.51) ALDH1A1KDM4ERAB9ATRPM4GRIK1
SCHEMBL21464391 0.77 KDM4E (0.61) ALDH1A1KDM4EAKR1C3AKR1C2GRIK1
SCHEMBL13178173 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ATRPM4GRIK1
SCHEMBL14517594 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9ATRPM4GRIK1
SCHEMBL1663739 0.72 MAPT (0.56) ALDH1A1RAB9AGRIK1MEN1KMT2A

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 13 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-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 1546/4885RAB9A 1737/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 ALDH1A1 876/4885KDM4E 1597/4885RAB9A 1921/4885

“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.