SCHEMBL77869

SCHEMBL77869

COc1cccn(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EP300 Q09472 4/20 0.51
CREBBP Q92793 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CCR1 P32246 1/20 0.49

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
SCHEMBL77870 1.00 MAPK1 (0.57) MAPK1CYP2C9CYP2C19TSHRMEN1
SCHEMBL76344 0.85 F10 (0.56) MEN1KMT2ASMN1; SMN2
SCHEMBL76342 0.84 F10 (0.56) CYP2C9CYP2C19ALDH1A1
SCHEMBL76341 0.84 F10 (0.56) CYP2C9CYP2C19ALDH1A1
SCHEMBL76584 0.77 L3MBTL1 (0.50) CYP2C9CYP2C19TSHRMEN1KMT2A
SCHEMBL76585 0.77 L3MBTL1 (0.50) CYP2C9CYP2C19TSHRMEN1KMT2A
SCHEMBL4443736 0.77 F10 (0.58)
SCHEMBL14143314 0.75 F10 (0.67)
SCHEMBL3830310 0.75 F10 (0.80)
SCHEMBL3830175 0.75 F10 (0.80)

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 MAPK1 2635/4885CYP2C9 253/4885CYP2C19 539/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB MAPK1 3540/4885CYP2C9 378/4885CYP2C19 435/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX MAPK1 2635/4885CYP2C9 253/4885CYP2C19 539/4885

“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.