SCHEMBL4183376

SCHEMBL4183376

O=C(C#Cc1ccccc1C(F)(F)F)NCCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
HSD11B1 P28845 1/20 0.42
ATM Q13315 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
SCHEMBL4182280 0.84 SMN1; SMN2 (0.51) L3MBTL1HTTKMT2AALDH1A1TDP1
SCHEMBL4175122 0.82 MAPK1 (0.51) LMNAL3MBTL1HTTKMT2AALDH1A1
SCHEMBL4181423 0.82 MAPK1 (0.48) LMNAHTTALDH1A1TDP1MAPK1
SCHEMBL4173140 0.81 L3MBTL1 (0.47) LMNAL3MBTL1HTTKMT2AALDH1A1
SCHEMBL4181726 0.79 MAPK1 (0.46) LMNAHTTALDH1A1TDP1MAPK1
SCHEMBL4180099 0.79 RAB9A (0.52) LMNAL3MBTL1HTTKMT2AALDH1A1
SCHEMBL4186387 0.78 MME (0.62) L3MBTL1HTTKMT2AALDH1A1MAPK1
SCHEMBL11613062 0.78 LMNA (0.63) LMNAL3MBTL1HTTKMT2AALDH1A1
SCHEMBL4171931 0.77 HTT (0.54) L3MBTL1HTTKMT2AMAPK1RAB9A
SCHEMBL4175239 0.77 NPC1 (0.52) LMNAKDM4ERAB9ASMN1; SMN2NPC1

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 LMNA 1560/4885L3MBTL1 4714/4885HTT 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.