SCHEMBL76890

SCHEMBL76890

O=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.57
MAPT P10636 2/20 0.50
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
CCR1 P32246 2/20 0.45
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL76889 1.00 F10 (0.57) F10MAPTRHOCRHOAHPGD
SCHEMBL76925 1.00 F10 (0.57) F10MAPTRHOCRHOAHPGD
SCHEMBL76995 0.87 F10 (0.75) F10MAPT
SCHEMBL77698 0.87 F10 (0.75) F10MAPT
SCHEMBL76996 0.87 F10 (0.75) F10MAPT
SCHEMBL13725967 0.86 F10 (0.53) F10RHOCRHOALMNATSHR
SCHEMBL2641234 0.85 MAPT (0.48) F10MAPTHPGDLMNATSHR
SCHEMBL2639983 0.85 MAPT (0.48) F10MAPTHPGDLMNATSHR
SCHEMBL76266 0.84 RHOC (0.57) F10MAPTRHOCRHOAHPGD
SCHEMBL78056 0.84 RHOC (0.57) F10MAPTRHOCRHOAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885MAPT 3896/4885RHOC 3122/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885MAPT 2660/4885RHOC 2392/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885MAPT 3896/4885RHOC 3122/4885

“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.