SCHEMBL2263535

SCHEMBL2263535

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
TGFBR1 P36897 1/20 0.45
P2RY1 P47900 4/20 0.45
CETP P11597 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RHOC P08134 4/20 0.43
RHOA P61586 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
MLYCD O95822 1/20 0.42
P2RY14 Q15391 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL2258904 0.93 P2RY1 (0.51) KCNJ5KCNJ3TGFBR1P2RY1KDM4E
SCHEMBL2260618 0.93 HPGD (0.46) TGFBR1P2RY1CETPKDM4ERHOC
SCHEMBL2257314 0.93 TGFBR1 (0.47) TGFBR1P2RY1KDM4ERHOCRHOA
SCHEMBL2258697 0.93 MLYCD (0.53) KCNJ5KCNJ3TGFBR1P2RY1KDM4E
SCHEMBL2259123 0.92 KDM4E (0.47) TGFBR1P2RY1KDM4EALDH1A1LMNA
SCHEMBL2259226 0.92 TGFBR1 (0.49) TGFBR1P2RY1KDM4ELMNAKMT2A
SCHEMBL2260757 0.92 TGFBR1 (0.45) TGFBR1P2RY1RHOCRHOAALDH1A1
SCHEMBL2257201 0.92 TGFBR1 (0.45) TGFBR1P2RY1CETPKDM4EALDH1A1
SCHEMBL2258261 0.91 KDM4E (0.47) TGFBR1P2RY1KDM4EALDH1A1MAPT
SCHEMBL2258121 0.91 RXRA (0.46) TGFBR1P2RY1CETPKDM4EALDH1A1

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 KCNJ5 2297/4885KCNJ3 2817/4885TGFBR1 481/4885

“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.