SCHEMBL823446

SCHEMBL823446

NCC(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
PIK3CA P42336 1/20 0.50
KMT2A Q03164 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
TSHR P16473 2/20 0.46
CA2 P00918 1/20 0.46
IDO1 P14902 4/20 0.46
VNN1 O95497 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
Hydrochloric Acid SCHEMBL826127 0.98 PNMT (0.50) PNMTTAAR1PIK3CAKMT2ALOXL2
SCHEMBL2814665 0.84 PIK3CA (0.40) PNMTTAAR1PIK3CALOXL2CA2
SCHEMBL2791411 0.84 PIK3CA (0.54) PNMTTAAR1PIK3CATSHRCA2
SCHEMBL2251905 0.82 PIK3CA (0.51) PNMTTAAR1PIK3CAKMT2ATSHR
Hydrochloric Acid SCHEMBL1221757 0.82 PIK3CA (0.52) PNMTTAAR1PIK3CATSHRCA2
Hydrochloric Acid SCHEMBL1150500 0.82 ANO1 (0.39) PNMTTAAR1PIK3CALOXL2CA2
SCHEMBL15930102 0.81 PNMT (0.58) PNMTTAAR1TSHRIDO1SIGMAR1
SCHEMBL1351021 0.81 PIK3CA (0.50) PNMTTAAR1PIK3CAKMT2ATSHR
SCHEMBL8376663 0.81 TSHR (0.50) PIK3CAKMT2ATSHRCA2IDO1
SCHEMBL1029174 0.80 SLC6A4 (0.54) PNMTTAAR1PIK3CAKMT2ATSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 EP disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8426405-B2 Thiazopyrimidinones and uses thereof AVEXA LIMITED (AU) 2013-04-23 US disclosed
EP-2247601-B1 THIAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2013-04-10 EP disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
EP-2247601-A1 THIAZOPYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2010-11-10 EP disclosed
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2010000030-A1 THIAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PNMT 2036/4885TAAR1 2531/4885PIK3CA 983/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PNMT 2036/4885TAAR1 2531/4885PIK3CA 983/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 PNMT 3784/4885TAAR1 4137/4885PIK3CA 1718/4885

“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.