SCHEMBL4180579

SCHEMBL4180579

COc1ccc(Br)c(C#CC(=O)NCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
RAB9A P51151 2/20 0.58
POLB P06746 2/20 0.58
NPC1 O15118 1/20 0.58
CDK2 P24941 1/20 0.56
CDK4 P11802 3/20 0.56
CCND1 P24385 3/20 0.56
MTNR1A P48039 6/20 0.54
MTNR1B P49286 5/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A1 P04798 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
NQO2 P16083 1/20 0.53

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
SCHEMBL4185141 0.83 KMT2A (0.62) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL4173493 0.79 MAPT (0.64) MEN1KMT2ARAB9ANPC1CDK4
SCHEMBL4164322 0.77 NPC1 (0.66) MEN1KMT2ARAB9ANPC1CDK4
SCHEMBL4181459 0.77 MEN1 (0.57) MEN1KMT2ARAB9ANPC1MTNR1A
SCHEMBL4177959 0.77 MEN1 (0.57) MEN1KMT2ARAB9ANPC1CDK4
SCHEMBL4181854 0.77 MAPT (0.48) MEN1KMT2ARAB9ANPC1MTNR1A
SCHEMBL28656689 0.76 POLB (0.71) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL19823623 0.76 MEN1 (0.63) MEN1KMT2ARAB9ANPC1CDK4
SCHEMBL4171938 0.75 GOT1 (0.66) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL4188968 0.75 NPC1 (0.66) MEN1KMT2ARAB9ANPC1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP MEN1 3427/4885KMT2A 2691/4885RAB9A 4846/4885

“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.