SCHEMBL2856077

SCHEMBL2856077

CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)c3n[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
FFAR1 O14842 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
PTPN1 P18031 3/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTGIR P43119 1/20 0.41
TSHR P16473 1/20 0.41
FLT3 P36888 1/20 0.40

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
SCHEMBL13708342 0.92 TLR7 (0.44) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL2851540 0.89 KDM4E (0.46) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL2858233 0.79 ACACB (0.46) FFAR1LPAR1LPAR2LTB4R2PTGIR
SCHEMBL2855320 0.77 LPAR1 (0.46) MAPTFFAR1LPAR1LPAR2LTB4R2
SCHEMBL1734728 0.76 LTB4R2 (0.53) FFAR1NPC1LPAR1LPAR2LTB4R2
SCHEMBL1813162 0.75 FFAR1 (0.49) FFAR1LTB4R2PSEN1PSEN2APH1B
SCHEMBL1816630 0.75 PTGES (0.55) FFAR1LPAR1LPAR2LTB4R2
SCHEMBL2853145 0.75 LTB4R2 (0.47) FFAR1LPAR1LPAR2LTB4R2
SCHEMBL7553695 0.73 KDM4E (0.57) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL2853044 0.73 LTB4R2 (0.48) FFAR1LPAR1LPAR2LTB4R2

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 10 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-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US 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
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

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 KDM4E 1973/4885MAPT 4879/4885HTT 1134/4885

“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.