SCHEMBL2258118

SCHEMBL2258118

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ GRM5 P41594 1/20 0.44
▸ TACR3 P29371 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.40

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
SCHEMBL2259313 0.92 TP53 (0.61) TP53GRM5
SCHEMBL2256149 0.89 ALDH1A1 (0.53) TP53KDM4EALDH1A1GRM5MEN1
SCHEMBL2258080 0.88 LMNA (0.48) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL2256762 0.86 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2260004 0.86 ALDH1A1 (0.49) KDM4EALDH1A1GRM5TACR3MAPT
SCHEMBL2258997 0.84 ALDH1A1 (0.48) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL2258849 0.83 LMNA (0.56) TP53KDM4EALDH1A1MEN1KMT2A
SCHEMBL2257410 0.82 MEN1 (0.48) KDM4EALDH1A1GRM5MEN1KMT2A
SCHEMBL2255578 0.82 GAA (0.56) KDM4EALDH1A1GRM5MEN1KMT2A
SCHEMBL2258557 0.82 MEN1 (0.48) KDM4EALDH1A1GRM5MEN1KMT2A

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
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

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 TP53 4361/4885KDM4E 2153/4885ALDH1A1 3692/4885

“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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