SCHEMBL823313

SCHEMBL823313

O=C(NCc1ccccc1)c1nc[nH]c(=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
GAA P10253 1/20 0.68
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GFER P55789 1/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MMP13 P45452 1/20 0.48
POLB P06746 2/20 0.47
S1PR4 O95977 1/20 0.47
ADORA2A P29274 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL18174799 0.86 ERCC1 (0.54) ALDH1A1GAAKMT2AADORA2A
SCHEMBL17703429 0.80 ALDH1A1 (0.86) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL5515965 0.75 KMT2A (0.61) ALDH1A1GAAKMT2AMAPK1HTT
SCHEMBL13961298 0.75 MAPT (0.54) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL52380 0.71 CYP2C19 (0.48) ALDH1A1KDM4EHSD17B10
SCHEMBL31026221 0.71 EGLN2 (0.68) ALDH1A1GAAKMT2AMAPK1HTT
SCHEMBL5583853 0.70 KMT2A (0.58) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL4066741 0.69 EGLN1 (0.69) KMT2AMAPT
SCHEMBL24878877 0.69 KMT2A (0.59) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL9527944 0.69 NSD2 (0.50) ALDH1A1GAAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US 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 ALDH1A1 337/4885GAA 564/4885KMT2A 2241/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD ALDH1A1 337/4885GAA 564/4885KMT2A 2241/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885GAA 564/4885KMT2A 2241/4885

“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.