SCHEMBL4169286

SCHEMBL4169286

Cc1cc(C)cc(C#CC(=O)NCCc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CNR1 P21554 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL4169116 0.91 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4171592 0.89 HTT (0.52) MAPK1ALDH1A1HTTATMSMN1; SMN2
SCHEMBL4180099 0.86 RAB9A (0.52) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4168901 0.85 KDM4E (0.55) KMT2AMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL4176074 0.83 SMN1; SMN2 (0.46) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4169221 0.83 SMN1; SMN2 (0.46) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4183222 0.82 ALDH1A1 (0.54) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4166971 0.81 SMN1; SMN2 (0.61) MAPK1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4171627 0.81 MAPK1 (0.51) KMT2AMAPK1ALDH1A1HTTATM
SCHEMBL4171931 0.81 HTT (0.54) KMT2AMAPK1HTTATMSMN1; SMN2

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 2691/4885MAPK1 4845/4885ALDH1A1 2932/4885

“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.