SCHEMBL10069928

SCHEMBL10069928

COC(=O)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
AKT1 P31749 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PLCG1 P19174 1/20 0.37
GALK1 P51570 1/20 0.37

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
SCHEMBL823499 0.88 MAPT (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10070432 0.87 KMT2A (0.38) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL367951 0.86 MAPT (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10070061 0.84 MAPT (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL369064 0.82 MAPT (0.38) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL823307 0.82 ALDH1A1 (0.45) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL823327 0.81 MAPT (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10069880 0.81 SIRT6 (0.34) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL12166168 0.80 MAPT (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL368321 0.79 SIRT6 (0.33) MAPTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MAPT 4213/4885KMT2A 3777/4885MEN1 4041/4885

“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.