Sugi Predict

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SCHEMBL2851539

SCHEMBL2851539

CCCCc1ccc(C#Cc2ccc(CNc3ccc(C(=O)OCC)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ NAMPT P43490 3/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL11259936 0.88 MAPT (0.65) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL2858458 0.85 RARB (0.57) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL2850975 0.83 ALOX15 (0.43) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL570747 0.81 ESR1 (0.59) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL11255756 0.80 MAPT (0.61) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11258392 0.80 MAPT (0.61) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11241894 0.80 MAPT (0.61) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11235432 0.80 MAPT (0.75) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL4051167 0.80 MAPT (0.75) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL1813169 0.80 CYP4A11 (0.62) MAPTALDH1A1RAB9ANPC1KMT2A

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
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 MAPT 4879/4885ALDH1A1 1454/4885RAB9A 4518/4885

“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.