SCHEMBL4183222

SCHEMBL4183222

Cc1ccc(C#CC(=O)NCCc2ccccn2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
F2 P00734 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL4181423 0.88 MAPK1 (0.48) ALDH1A1SMN1; SMN2HTTMAPK1ATM
SCHEMBL4181726 0.85 MAPK1 (0.46) ALDH1A1SMN1; SMN2HTTMAPK1ATM
SCHEMBL4171592 0.83 HTT (0.52) ALDH1A1SMN1; SMN2HTTMAPK1ATM
SCHEMBL4169116 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL4169286 0.82 KMT2A (0.48) ALDH1A1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL4177905 0.82 NPC1 (0.53) ALDH1A1SMN1; SMN2KMT2ARAB9AHPGD
SCHEMBL4185998 0.80 CNR1 (0.53) ALDH1A1SMN1; SMN2HTTKMT2ARAB9A
SCHEMBL4186387 0.80 MME (0.62) ALDH1A1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL4175122 0.79 MAPK1 (0.51) ALDH1A1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL4182280 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTMAPK1KMT2A

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 ALDH1A1 2932/4885SMN1; SMN2 4869/4885HTT 1236/4885

“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.