SCHEMBL15033965

SCHEMBL15033965

CCOC(=O)CC(=O)N(CC(=O)c1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
ATM Q13315 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 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
SCHEMBL15033964 0.88 MAPT (0.45) TSHRKMT2ASMN1; SMN2MAPTHDAC3
SCHEMBL20169531 0.81 SMN1; SMN2 (0.59) TSHRKMT2ASMN1; SMN2MAPTATM
SCHEMBL15033934 0.80 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2KDM4EMEN1CA12
SCHEMBL15020320 0.80 MAPT (0.45) KMT2AMAPTKDM4EMEN1CA12
SCHEMBL314216 0.78 HDAC3 (0.60) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL15033981 0.78 SMN1; SMN2 (0.54) TSHRKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL1032203 0.77 SMN1; SMN2 (0.60) TSHRKMT2ASMN1; SMN2MAPTHPGD
SCHEMBL13431373 0.77 TP53 (0.44) KMT2ASMN1; SMN2MAPTHDAC3HDAC4
SCHEMBL15033991 0.77 MAPT (0.43) KMT2ASMN1; SMN2MAPTATMKDM4E
SCHEMBL9177708 0.75 KMT2A (0.46) KMT2ASMN1; SMN2MAPTTRPM8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937176-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158038-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (2 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 TSHR 971/4885KMT2A 1800/4885SMN1; SMN2 2379/4885
US-20130158038-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 TSHR 825/4885KMT2A 1443/4885SMN1; SMN2 2436/4885

“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.