SCHEMBL76265

SCHEMBL76265

O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.57
RHOA P61586 1/20 0.57
F10 P00742 8/20 0.56
F2 P00734 1/20 0.49
MAPT P10636 1/20 0.49
HSD11B1 P28845 1/20 0.49
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
EP300 Q09472 1/20 0.46
CREBBP Q92793 1/20 0.46
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
POLB P06746 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
SCHEMBL76266 1.00 RHOC (0.57) RHOCRHOAF10F2MAPT
SCHEMBL78056 1.00 RHOC (0.57) RHOCRHOAF10F2MAPT
SCHEMBL27713501 0.91 F10 (0.56) RHOCRHOAF10ALDH1A1HPGD
SCHEMBL13725967 0.90 F10 (0.53) RHOCRHOAF10POLB
SCHEMBL77021 0.85 ALDH1A1 (0.56) RHOCRHOAF10F2ALDH1A1
SCHEMBL77020 0.85 ALDH1A1 (0.56) RHOCRHOAF10F2ALDH1A1
SCHEMBL76925 0.84 F10 (0.57) RHOCRHOAF10MAPTALDH1A1
SCHEMBL76890 0.84 F10 (0.57) RHOCRHOAF10MAPTALDH1A1
SCHEMBL76889 0.84 F10 (0.57) RHOCRHOAF10MAPTALDH1A1
SCHEMBL5605147 0.83 F10 (0.49) F10F2MAPTHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RHOC 3122/4885RHOA 2693/4885F10 5/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB RHOC 2392/4885RHOA 1393/4885F10 22/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX RHOC 3122/4885RHOA 2693/4885F10 5/4885

“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.