SCHEMBL4228881

SCHEMBL4228881

CN1CCC(Oc2cccc(CNC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
TP53 P04637 3/20 0.52
SLC5A7 Q9GZV3 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SCD5 Q86SK9 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4238310 0.91 MAPT (0.62) KMT2AMEN1TP53SLC5A7NPC1
SCHEMBL4226724 0.88 KMT2A (0.55) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL4226721 0.88 KMT2A (0.55) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL4372905 0.88 SLC5A7 (0.55) KMT2AMEN1SLC5A7NPC1RAB9A
SCHEMBL4772536 0.85 SLC5A7 (0.51) KMT2ASLC5A7NPC1MAPTALDH1A1
SCHEMBL4372899 0.84 TP53 (0.52) KMT2AMEN1TP53SLC5A7NPC1
SCHEMBL14468168 0.80 SCD5 (0.42) TP53SLC5A7NPC1RAB9AMAPT
SCHEMBL4235922 0.80 HIF1A (0.47) KMT2AMEN1SLC5A7HSD17B10KDM4E
SCHEMBL4237326 0.80 MAPT (0.60) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL4231330 0.80 MAPT (0.60) KMT2AMEN1TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US claimed
EP-1973905-A1 COMPOUNDS AstraZeneca AB (SE) 2008-10-01 EP claimed
WO-2007078251-A1 COMPOUNDS ASTRAZENECA AB (SE) 2007-07-12 WO claimed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2007078251-A1 COMPOUNDS ASTRAZENECA AB (SE) 2007-07-12 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 (1 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-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR KMT2A 3907/4885MEN1 1092/4885TP53 3009/4885

“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.