SCHEMBL928059

SCHEMBL928059

O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
MC4R P32245 1/20 0.51
TAAR1 Q96RJ0 7/20 0.50
POLB P06746 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DPP4 P27487 1/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL19476512 0.86 GAA (0.60) MEN1KMT2AGAAMAPTMC4R
SCHEMBL19476118 0.86 GAA (0.60) MEN1KMT2AGAAMAPTMC4R
SCHEMBL12641854 0.85 KMT2A (0.51) MEN1KMT2AGAAMC4RTAAR1
SCHEMBL14607110 0.85 GAA (0.59) MEN1KMT2AGAAMAPTHTR1A
SCHEMBL14294241 0.83 GAA (0.56) MEN1KMT2AGAAMAPTHTR1A
SCHEMBL7044730 0.83 GAA (0.56) MEN1KMT2AGAAMAPTHTR1A
SCHEMBL13073431 0.82 KMT2A (0.85) MEN1KMT2AGAAMC4RTAAR1
SCHEMBL19972744 0.82 KMT2A (0.85) MEN1KMT2AGAAMC4RTAAR1
SCHEMBL4040204 0.82 MAPT (0.49) MEN1KMT2AGAAMAPTTAAR1
SCHEMBL3535333 0.82 GAA (0.62) MEN1KMT2AGAAMAPTMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 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 (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-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD MEN1 4595/4885KMT2A 2387/4885GAA 766/4885

“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.