SCHEMBL4174442

SCHEMBL4174442

CC(C)(C)c1ccc(C#CC(=O)NCCc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CNR1 P21554 1/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4173140 0.88 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL4171592 0.87 HTT (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL4180099 0.86 RAB9A (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4171627 0.84 MAPK1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4166971 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL4171931 0.84 HTT (0.54) KMT2ASMN1; SMN2RAB9ANPC1HTT
SCHEMBL4180089 0.84 RAB9A (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4179552 0.82 RAB9A (0.63) ALDH1A1KMT2ARAB9ANPC1LMNA
SCHEMBL4169286 0.81 KMT2A (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL17886760 0.80 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1

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 4 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

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 ALDH1A1 2932/4885KMT2A 2691/4885MEN1 3427/4885

“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.