SCHEMBL1754438

SCHEMBL1754438

COc1c(OCC(=O)NCc2cc(C)on2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1cncc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.54
NR1H3 Q13133 14/20 0.54
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1754440 0.94 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754378 0.89 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL11997935 0.88 NR1H2 (0.58) NR1H2NR1H3KDM4EALDH1A1HTT
SCHEMBL1754291 0.88 NR1H2 (0.57) NR1H2NR1H3KDM4EALDH1A1HTT
SCHEMBL1754491 0.87 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL1754382 0.86 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL1756045 0.86 NR1H2 (0.51) NR1H2NR1H3SMN1; SMN2
SCHEMBL1754097 0.83 NR1H2 (0.64) NR1H2NR1H3KDM4EALDH1A1HTT
SCHEMBL1754248 0.83 NR1H2 (0.57) NR1H2NR1H3KDM4EALDH1A1HTT
SCHEMBL1754269 0.83 NR1H2 (0.62) NR1H2NR1H3KDM4EALDH1A1HTT

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 6 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

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

For each of this compound's patents that has machine-readable text (1 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-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885KDM4E 2982/4885

“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.