SCHEMBL2260184

SCHEMBL2260184

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GAA P10253 2/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RAB9A P51151 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL2256062 0.90 MEN1 (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL2259974 0.90 SLC6A7 (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL12361714 0.88 HTT (0.55) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL2261140 0.86 RAB9A (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL2256424 0.85 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14176882 0.85 HSD11B1 (0.47) KDM4EHSD17B10GAAKMT2AMEN1
SCHEMBL2259894 0.85 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL2258997 0.84 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL2258896 0.83 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL2257730 0.82 THRB (0.59) —

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 KDM4E 2153/4885ALDH1A1 3692/4885HSD17B10 366/4885

“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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