SCHEMBL4185141

SCHEMBL4185141

COc1cccc(C#CC(=O)NCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
CDK4 P11802 3/20 0.60
CCND1 P24385 3/20 0.60
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.57
ACHE P22303 1/20 0.56
FAAH O00519 2/20 0.56
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1A P48039 3/20 0.54
CDK2 P24941 1/20 0.54
CYP1A2 P05177 2/20 0.54
BLM P54132 2/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL4173426 0.88 MAPT (0.64) KMT2AMEN1CDK4CCND1RAB9A
SCHEMBL19823623 0.85 MEN1 (0.63) KMT2AMEN1CDK4CCND1RAB9A
SCHEMBL4180579 0.83 MEN1 (0.59) KMT2AMEN1CDK4CCND1RAB9A
SCHEMBL4185803 0.82 MEN1 (0.61) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4169130 0.82 MTNR1A (0.55) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4170481 0.81 SIRT1 (0.66) KMT2AMEN1CDK4CCND1RAB9A
SCHEMBL4177872 0.80 MEN1 (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL4185176 0.80 MAPT (0.54) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4175962 0.80 FFAR1 (0.56) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL4185839 0.78 CDK4 (0.66) KMT2AMEN1CDK4CCND1RAB9A

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 KMT2A 2691/4885MEN1 3427/4885CDK4 2729/4885

“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.