SCHEMBL2107839

SCHEMBL2107839

FC(F)Oc1ccccc1C1NN=C(c2ccc(Cl)cc2)S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 3/20 0.54
MBD2 Q9UBB5 3/20 0.54
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H2 P55055 6/20 0.44
NR1H3 Q13133 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2108704 0.76 MECP2 (0.49) MECP2MBD2RAB9ANPC1POLB
SCHEMBL12692361 0.71 MECP2 (1.00) MECP2MBD2RAB9ANPC1POLB
SCHEMBL1754414 0.69 NR1H2 (0.89) NR1H2NR1H3
SCHEMBL1754234 0.69 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL10647186 0.69 NR1I2 (0.37) KMT2ANR1H2NR1H3SMN1; SMN2KDM4E
SCHEMBL1754040 0.69 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL1753982 0.69 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL1753945 0.68 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL1754398 0.68 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL1754303 0.68 NR1H2 (0.64) NR1H2NR1H3

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 3752/4885RAB9A 2722/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 MECP2 3417/4885MBD2 3752/4885RAB9A 2722/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 MECP2 3417/4885MBD2 3752/4885RAB9A 2722/4885

“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.