SCHEMBL2260618

SCHEMBL2260618

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TGFBR1 P36897 1/20 0.46
CNR1 P21554 1/20 0.46
ORAI1 Q96D31 1/20 0.45
RHOC P08134 2/20 0.45
RHOA P61586 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
P2RY1 P47900 2/20 0.44
CETP P11597 2/20 0.43
KMT2A Q03164 1/20 0.42
IGF1R P08069 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
SCHEMBL2256292 0.95 TGFBR1 (0.47) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2257314 0.94 TGFBR1 (0.47) KDM4EALDH1A1TGFBR1RHOCRHOA
SCHEMBL2257201 0.93 TGFBR1 (0.45) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2263535 0.93 KCNJ5 (0.48) KDM4EALDH1A1TGFBR1RHOCRHOA
SCHEMBL2259123 0.93 KDM4E (0.47) HPGDKDM4EALDH1A1TGFBR1CNR1
SCHEMBL2259102 0.92 TGFBR1 (0.47) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2258261 0.92 KDM4E (0.47) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2258121 0.92 RXRA (0.46) KDM4EALDH1A1TGFBR1CNR1SMN1; SMN2
SCHEMBL2260513 0.91 TGFBR1 (0.44) KDM4EALDH1A1TGFBR1KMT2A
SCHEMBL2258132 0.91 NPC1 (0.45) KDM4EALDH1A1TGFBR1ORAI1SMN1; SMN2

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 HPGD 866/4885KDM4E 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.