SCHEMBL2255234

SCHEMBL2255234

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.49
▸ DGAT1 O75907 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ CCR1 P32246 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ NR1H2 P55055 1/20 0.42

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
SCHEMBL2258205 0.92 HTT (0.50) HTTMEN1TSHRKMT2AALDH1A1
SCHEMBL2259599 0.90 GRIN1 (0.48) HTTMEN1TSHRKMT2AGRM5
SCHEMBL2259046 0.90 MAPT (0.47) HTTMEN1TSHRKMT2AGRM5
SCHEMBL2256497 0.90 KMT2A (0.55) HTTMEN1TSHRKMT2AALDH1A1
SCHEMBL2258054 0.89 MAPT (0.52) HTTMEN1TSHRKMT2AGRM5
SCHEMBL2257016 0.87 MAPT (0.60) HTTMEN1TSHRKMT2AALDH1A1
SCHEMBL2258557 0.86 MEN1 (0.48) MEN1TSHRKMT2AGRM5ALDH1A1
SCHEMBL2257410 0.86 MEN1 (0.48) HTTMEN1TSHRKMT2AGRM5
SCHEMBL2255578 0.86 GAA (0.56) HTTMEN1TSHRKMT2AGRM5
SCHEMBL2261419 0.86 MEN1 (0.61) HTTMEN1TSHRKMT2AGRM5

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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — 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 (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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 HTT 4571/4885DGAT1 1418/4885MEN1 3422/4885

“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.

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