SCHEMBL4175901

SCHEMBL4175901

O=C(C#Cc1cccc(Cl)c1)NCCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43

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
SCHEMBL4174070 0.89 KMT2A (0.55) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4179866 0.87 ALDH1A1 (0.56) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4175251 0.87 NPC1 (0.57) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4185879 0.85 PYGL (0.49) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4186379 0.85 ALDH1A1 (0.52) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4174195 0.85 CNR1 (0.50) PYGLKMT2AMEN1RAB9ANPC1
SCHEMBL4170422 0.82 CNR1 (0.54) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4183641 0.82 CNR1 (0.54) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4181881 0.81 ALDH1A1 (0.54) PYGLSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4173101 0.81 ALDH1A1 (0.61) PYGLSMN1; SMN2KMT2AMEN1RAB9A

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 PYGL 422/4885SMN1; SMN2 4869/4885KDM4E 1802/4885

“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.