SCHEMBL1096209

SCHEMBL1096209

COC(=O)c1cc(Br)[c]cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
GAA P10253 5/20 0.45
POLB P06746 4/20 0.42
HSD17B10 Q99714 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1225344 0.87 GAA (0.46) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL1226447 0.85 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL1096751 0.84 MTNR1A (0.38) KDM4EGAAALDH1A1HPGDLCK
SCHEMBL1095488 0.83 HTT (0.42) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL1096754 0.76 ABL1 (0.44) KDM4EGAAPOLBALDH1A1MAPT
SCHEMBL6582728 0.75 KDM4E (0.67) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL1096884 0.73 PRKDC (0.38) KDM4EPOLBALDH1A1MAPTTSHR
SCHEMBL383036 0.73 GAA (0.53) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL15475102 0.72 ALOX5 (0.39) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL6582726 0.72 LCK (0.60) KDM4EGAAPOLBHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (5 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 KDM4E 2644/4885GAA 4302/4885POLB 4130/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 KDM4E 2570/4885GAA 4305/4885POLB 4459/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KDM4E 2728/4885GAA 4242/4885POLB 4380/4885
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 KDM4E 3324/4885GAA 2749/4885POLB 4289/4885
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 KDM4E 2911/4885GAA 4041/4885POLB 4437/4885

“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.