SCHEMBL77436

SCHEMBL77436

Cc1cc(C)nc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.46
F10 P00742 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MCHR1 Q99705 1/20 0.41
USP2 O75604 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2639438 0.84 KDM4E (0.46) LMNAKDM4EGAANPSR1MAPT
SCHEMBL75979 0.82 TRPV1 (0.65) LMNAKDM4EGAAMAPTHTT
SCHEMBL85155 0.81 CA12 (0.51) LMNAKDM4EMAPTHTTMAPK1
SCHEMBL77683 0.80 CA12 (0.52) LMNAKDM4EMAPTHTTF10
SCHEMBL75788 0.79 KDM4E (0.54) LMNAKDM4EGAAMAPTHTT
SCHEMBL77525 0.78 GAA (0.55) LMNAGAAMAPTHTTMAPK1
SCHEMBL76181 0.77 F10 (0.47) LMNAMAPTHTTF10POLB
SCHEMBL13890612 0.73 F10 (0.56) LMNAGAAMAPTHTTF10
SCHEMBL20446631 0.73 F10 (0.56) LMNAGAAMAPTHTTF10
SCHEMBL20446539 0.73 F10 (0.56) LMNAGAAMAPTHTTF10

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 LMNA 918/4885KDM4E 1013/4885GAA 1047/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB LMNA 626/4885KDM4E 1954/4885GAA 660/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX LMNA 918/4885KDM4E 1013/4885GAA 1047/4885

“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.