SCHEMBL2258080

SCHEMBL2258080

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ DRD4 P21917 1/20 0.44
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL2256149 0.92 ALDH1A1 (0.53) LMNACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL2258849 0.90 LMNA (0.56) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL2260004 0.89 ALDH1A1 (0.49) LMNADRD3HIF1ADRD4HTR7
SCHEMBL2258118 0.88 TP53 (0.49) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL2259046 0.85 MAPT (0.47) LMNAPOLBALDH1A1KDM4EMAPT
SCHEMBL2257784 0.85 SIGMAR1 (0.48) DRD3HTR7MEN1KMT2A
SCHEMBL2258054 0.84 MAPT (0.52) LMNAPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL2258557 0.84 MEN1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL2255578 0.84 GAA (0.56) LMNADRD3ALDH1A1KDM4EMAPT
SCHEMBL2257410 0.84 MEN1 (0.48) LMNADRD3ALDH1A1KDM4EMAPT

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 LMNA 2267/4885CYP3A4 161/4885ABCB11 33/4885

“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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