SCHEMBL13708339

SCHEMBL13708339

CCCc1ccc(C#Cc2ccc(CNCc3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ASAH1 Q13510 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL2855304 0.94 POLB (0.38) PARP1LMNASMN1; SMN2MMP2MMP9
SCHEMBL1815845 0.87 MAOA (0.35) ACACBLMNASMN1; SMN2MMP2MMP9
SCHEMBL1813904 0.81 POLB (0.41) LMNASMN1; SMN2MMP2MMP9TDP1
Hydrochloric Acid SCHEMBL2858475 0.80 POLB (0.40) LMNASMN1; SMN2MMP2MMP9TDP1
SCHEMBL1815941 0.77 CYP1A2 (0.46) LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL13708340 0.76 LTB4R2 (0.38) POLBFFAR1
SCHEMBL1814184 0.75 PTPN11 (0.52) TDP1L3MBTL1FFAR1
SCHEMBL1815305 0.75 ALDH1A1 (0.40) LMNASMN1; SMN2FFAR1
SCHEMBL1813337 0.74 POLB (0.41) LMNASMN1; SMN2MMP2MMP9TDP1
SCHEMBL4456870 0.74 PTPN11 (0.42) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACACB 105/4885PARP1 2638/4885LMNA 2923/4885

“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.

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