SCHEMBL4170422

SCHEMBL4170422

Cc1cccc(CCNC(=O)C#Cc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
THRB P10828 1/20 0.49
PYGL P06737 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4181916 0.95 CNR1 (0.51) CNR1LMNATP53MAPTALDH1A1
SCHEMBL4179866 0.91 ALDH1A1 (0.56) CNR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4185879 0.89 PYGL (0.49) CNR1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4174070 0.88 KMT2A (0.55) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4175187 0.87 ALDH1A1 (0.58) CNR1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4182277 0.87 ALDH1A1 (0.51) CNR1LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL4178880 0.87 ALDH1A1 (0.51) CNR1LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL4183641 0.86 CNR1 (0.54) CNR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4181881 0.85 ALDH1A1 (0.54) CNR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4173101 0.85 ALDH1A1 (0.61) CNR1MAPTALDH1A1SMN1; 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 CNR1 396/4885LMNA 1560/4885TP53 3272/4885

“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.