SCHEMBL2851006

SCHEMBL2851006

COC(=O)c1ccc2c(c1)C(N(Cc1ccc(C#Cc3ccc(F)cc3)cc1)C(=O)CCC1CCCC1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
AGER Q15109 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 1/20 0.33
ATM Q13315 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TACR1 P25103 1/20 0.33
KLK7 P49862 1/20 0.33
PDE6D O43924 1/20 0.33

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
SCHEMBL13711656 0.93 HTR5A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2853647 0.90 NSD2 (0.38) NSD2ACHEAGERMTNR1ATAS2R14
SCHEMBL2858230 0.90 TAOK1 (0.38)
SCHEMBL2876242 0.85 ACHE (0.34) NSD2ACHEMTNR1ATACR1
SCHEMBL13711804 0.82 TAOK1 (0.40)
SCHEMBL13711677 0.82 HTR5A (0.40) ACHEAGERMTNR1ATAS2R14TACR1
SCHEMBL1734634 0.81 PTPN11 (0.37) ACHETAS2R14
SCHEMBL2855184 0.75 KDM4E (0.46) ACHEALDH1A1
SCHEMBL803230 0.73 MEN1 (0.40) ACHEALDH1A1TRPV1ATM
SCHEMBL2875007 0.70 SLC6A4 (0.43) ALDH1A1PDE6D

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 5 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 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

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 NSD2 2471/4885PSEN1 2793/4885PSEN2 3375/4885

“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.