SCHEMBL2109517

SCHEMBL2109517

COc1cccc(C2NN=C(c3ccc(F)cc3)S2)c1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.43
NR1H3 Q13133 10/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6277474 0.64 MAPT (0.58) NR1H2NR1H3RAB9ANPC1SMN1; SMN2
SCHEMBL2107839 0.64 MECP2 (0.54) NR1H2NR1H3RAB9ANPC1SMN1; SMN2
SCHEMBL1754368 0.59 SRC (0.54) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL1754569 0.59 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL2108947 0.58 CA1 (0.56) ALDH1A1KMT2A
SCHEMBL28908233 0.56 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL1620718 0.55 TUBB1 (0.30)
SCHEMBL5690752 0.55 SQOR (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2847618 0.54 SLC6A2 (0.40) ALDH1A1HPGD
SCHEMBL2528236 0.54 KDM4E (0.45) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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 NR1H2 1/4885NR1H3 2/4885RAB9A 2722/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RAB9A 2722/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RAB9A 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.