SCHEMBL85889

SCHEMBL85889

Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)NC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.45
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
F10 P00742 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL75996 0.91 TRPV1 (0.53) NAMPTPOLBF10TRPV1MAPT
SCHEMBL85884 0.80 LMNA (0.43) LMNANPSR1POLBALOX15F10
SCHEMBL5075422 0.78 F10 (0.56) NAMPTF10TRPV1MAPTEPHX2
SCHEMBL75979 0.74 TRPV1 (0.65) NAMPTLMNAPOLBF10TRPV1
SCHEMBL29581288 0.72 TSHR (0.51) NAMPTPOLBF10MAPT
SCHEMBL77565 0.72 F10 (0.49) POLBF10KMT2AMAPTEPHX2
SCHEMBL3833286 0.70 F10 (0.66) LMNAPOLBF10KDM4EKMT2A
SCHEMBL8455933 0.69 ALDH1A1 (0.60) NAMPTLMNAF10KMT2A
SCHEMBL8466843 0.69 ALDH1A1 (0.60) NAMPTLMNAF10KMT2A
SCHEMBL27557817 0.69 ITGB3 (0.51) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NAMPT 3125/4885LMNA 918/4885NPSR1 2546/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB NAMPT 2823/4885LMNA 626/4885NPSR1 1636/4885

“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.