SCHEMBL2853542

SCHEMBL2853542

CCCCc1ccc(C#Cc2ccc(CNCc3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.55
CYP4F2 P78329 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
PLK1 P53350 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PTPN11 Q06124 1/20 0.46
MDH1 P40925 1/20 0.46
RARB P10826 1/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR2 O95136 2/20 0.44
S1PR4 O95977 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 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
SCHEMBL1813169 0.93 CYP4A11 (0.62) CYP4A11CYP4F2NPC1RAB9AHPGD
SCHEMBL2858924 0.86 RARB (0.61) HPGDPLK1RARBS1PR1S1PR3
SCHEMBL1792416 0.84 CYP4A11 (0.74) CYP4A11CYP4F2NPC1RAB9AHPGD
SCHEMBL12626710 0.81 ACACB (0.47) LMNASMN1; SMN2MDH1
SCHEMBL2861907 0.81 PDE6D (0.48) CYP4A11CYP4F2LMNAPLK1SMN1; SMN2
SCHEMBL2857126 0.80 ESR1 (0.54) LMNAPLK1S1PR1S1PR3S1PR2
SCHEMBL2857121 0.80 S1PR1 (0.45) HPGDPLK1S1PR1S1PR3S1PR2
SCHEMBL12656086 0.80 RARB (0.68) CYP4A11CYP4F2PLK1SMN1; SMN2MDH1
SCHEMBL18712260 0.80 PTPN11 (0.58) CYP4A11CYP4F2NPC1RAB9AHPGD
SCHEMBL8044139 0.80 CYP4A11 (0.75) CYP4A11CYP4F2PLK1SMN1; SMN2RARB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS CYP4A11 294/4885CYP4F2 790/4885NPC1 789/4885

“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.