SCHEMBL2108704

SCHEMBL2108704

NC(=O)COc1ccccc1C1NN=C(c2ccc(Cl)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 2/20 0.49
MBD2 Q9UBB5 2/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR3 P29371 1/20 0.41
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 3/20 0.39
BCL2A1 Q16548 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL2107839 0.76 MECP2 (0.54) MECP2MBD2NPC1RAB9AMEN1
SCHEMBL1754148 0.74 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL1754386 0.74 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL12692361 0.67 MECP2 (1.00) MECP2MBD2NPC1RAB9AMEN1
SCHEMBL1753825 0.66 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL5362778 0.64 HTT (0.71) POLBMAPTKDM4EHTTALDH1A1
SCHEMBL1032879 0.64 KDM4E (0.61) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL27269057 0.64 MECP2 (0.53) MECP2MBD2NPC1RAB9AMEN1
SCHEMBL28416661 0.61 L3MBTL1 (0.68) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL14160080 0.61 MDM2 (0.46) TACR3BCL2A1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 WO 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 MECP2 3417/4885MBD2 3752/4885NPC1 32/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 MECP2 3417/4885MBD2 3752/4885NPC1 32/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 MECP2 3417/4885MBD2 3752/4885NPC1 32/4885

“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.