SCHEMBL4170481

SCHEMBL4170481

Cc1ccc(C#CC(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.66
MAPT P10636 6/20 0.63
GAA P10253 3/20 0.63
CDK4 P11802 1/20 0.62
CCND1 P24385 1/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
PTGS2 P35354 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ATM Q13315 1/20 0.58
PTGS1 P23219 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX12 P18054 1/20 0.57

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
SCHEMBL19823623 0.91 MEN1 (0.63) SIRT1MAPTCDK4CCND1MEN1
SCHEMBL4173426 0.89 MAPT (0.64) SIRT1MAPTGAACDK4CCND1
SCHEMBL4185839 0.88 CDK4 (0.66) SIRT1MAPTCDK4CCND1MEN1
SCHEMBL4185803 0.88 MEN1 (0.61) SIRT1MAPTGAAMEN1KMT2A
SCHEMBL4185176 0.85 MAPT (0.54) SIRT1MAPTGAAMEN1KMT2A
SCHEMBL4164322 0.85 NPC1 (0.66) SIRT1MAPTGAACDK4CCND1
SCHEMBL4173493 0.84 MAPT (0.64) SIRT1MAPTGAACDK4CCND1
SCHEMBL4177872 0.83 MEN1 (0.58) SIRT1MEN1KMT2ALMNACYP1A2
SCHEMBL4185141 0.81 KMT2A (0.62) MAPTCDK4CCND1MEN1KMT2A
SCHEMBL4181459 0.80 MEN1 (0.57) SIRT1MAPTMEN1KMT2ALMNA

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 SIRT1 3283/4885MAPT 2674/4885GAA 1317/4885

“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.