SCHEMBL76584

SCHEMBL76584

O=C(Nc1ccc(-n2ccncc2=O)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RHOC P08134 1/20 0.49
RHOA P61586 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
TSHR P16473 1/20 0.48
CCR1 P32246 4/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.45
EP300 Q09472 1/20 0.45
CREBBP Q92793 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
SCHEMBL76585 1.00 L3MBTL1 (0.50) L3MBTL1LMNAPOLBMEN1KMT2A
SCHEMBL76342 0.85 F10 (0.56) L3MBTL1RHOCRHOACYP2C9CYP2C19
SCHEMBL76341 0.85 F10 (0.56) L3MBTL1RHOCRHOACYP2C9CYP2C19
SCHEMBL77131 0.84 F10 (0.44)
SCHEMBL77130 0.84 F10 (0.44)
SCHEMBL78321 0.83 F10 (0.59) POLB
SCHEMBL76300 0.81 F10 (0.67) POLB
SCHEMBL77199 0.80 F10 (0.40) POLBTRPV1
SCHEMBL77198 0.80 F10 (0.40) POLBTRPV1
SCHEMBL77197 0.79 F10 (0.51) ALDH1A1

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 L3MBTL1 932/4885LMNA 918/4885POLB 2957/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB L3MBTL1 2025/4885LMNA 626/4885POLB 3094/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX L3MBTL1 932/4885LMNA 918/4885POLB 2957/4885

“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.