SCHEMBL1754161

SCHEMBL1754161

N#CCOc1ccccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1cncc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.49
NR1H3 Q13133 14/20 0.49
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1754034 0.86 NR1H2 (0.63) NR1H2NR1H3MEN1LMNAHPGD
SCHEMBL1754365 0.85 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754206 0.83 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL1754130 0.83 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL11997942 0.81 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL1754113 0.81 NR1H2 (0.56) NR1H2NR1H3MEN1LMNAHPGD
SCHEMBL1754264 0.80 NR1H2 (0.49) NR1H2NR1H3MEN1KMT2A
SCHEMBL1754097 0.80 NR1H2 (0.64) NR1H2NR1H3SMN1; SMN2
SCHEMBL1754537 0.79 NR1H2 (0.63) NR1H2NR1H3MEN1LMNAHPGD
SCHEMBL1754194 0.79 NR1H2 (0.62) NR1H2NR1H3SMN1; SMN2

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-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 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-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-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
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 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-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MEN1 4513/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MEN1 4513/4885

“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.