SCHEMBL85884

SCHEMBL85884

Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)NC2CCN(C3CCN(C)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 2/20 0.40
F10 P00742 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
ACKR3 P25106 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL77565 0.91 F10 (0.49) POLBKMT2AF10MAPTEPHX2
SCHEMBL85889 0.80 NAMPT (0.45) LMNANPSR1POLBALOX15KMT2A
SCHEMBL76181 0.76 F10 (0.47) LMNAPOLBF10MAPTEPHX2
SCHEMBL29581288 0.73 TSHR (0.51) POLBF10MAPTNPC1RAB9A
SCHEMBL75996 0.70 TRPV1 (0.53) POLBF10MAPT
SCHEMBL14519207 0.70 EPHX1 (0.70) LMNANPSR1KMT2AEPHX2FPR2
SCHEMBL8455933 0.70 ALDH1A1 (0.60) LMNAKMT2AF10NPC1RAB9A
SCHEMBL8466843 0.70 ALDH1A1 (0.60) LMNAKMT2AF10NPC1RAB9A
SCHEMBL77710 0.67 F10 (0.66) POLBF10MAPT
SCHEMBL85147 0.67 F10 (0.66) POLBF10MAPT

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 LMNA 918/4885NPSR1 2546/4885POLB 2957/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB LMNA 626/4885NPSR1 1636/4885POLB 3094/4885

“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.