SCHEMBL4472090

SCHEMBL4472090

O=C(Oc1cccnc1)C(=O)ON1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL27641686 0.76 GAA (0.62) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL28018948 0.74 KMT2A (0.52) KMT2AMEN1GAAALDH1A1SMN1; SMN2
Morpholine SCHEMBL4472083 0.73 MAPT (0.42) MAPTKMT2AMEN1HTTGAA
SCHEMBL16742707 0.72 GAA (0.51) MAPTKMT2AMEN1HTTGAA
SCHEMBL3822896 0.72 L3MBTL1 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL16463810 0.71 TSHR (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL28018403 0.71 LIPE (0.48) KMT2AALDH1A1SMN1; SMN2RAB9AEPHX2
SCHEMBL31428914 0.70 FKBP1A (0.61) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL13113097 0.70 KMT2A (0.55) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL27983752 0.69 ALDH1A1 (0.50) MAPTKMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553481-A Substituted sulfonamide derivatives GRUENENTHAL GMBH (DE) 2009-10-07 CN disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 MAPT 3519/4885KMT2A 1738/4885MEN1 4355/4885

“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.