SCHEMBL951285

SCHEMBL951285

O=C(Cl)c1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
NR3C2 P08235 1/20 0.44
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
TRPV1 Q8NER1 3/20 0.42
KLKB1 P03952 3/20 0.41
TGFBR1 P36897 1/20 0.40
CARM1 Q86X55 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL950585 0.89 KLKB1 (0.52) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL28773936 0.88 RXRA (0.48) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL2254831 0.84 RXRA (0.48) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL6172727 0.82 MAPT (0.44) PTGS2CARM1MAPT
SCHEMBL2257208 0.81 PDE4B (0.56) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL3280902 0.81 GRN (0.56) NR3C2PTGS1PTGS2KLKB1CARM1
SCHEMBL30863652 0.80 KDM4E (0.49) PTGS1PTGS2TRPV1KLKB1KDM4E
SCHEMBL114535 0.80 KDM4E (0.49) PTGS1PTGS2TRPV1KLKB1KDM4E
SCHEMBL3474848 0.80 RXRA (0.62) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL2257122 0.80 RXRA (0.50) RXRANR1H2NR1H3NR3C2PTGS1

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 39 patents — showing the first 20. 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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
CN-101287721-B Hydrazide compound and pesticidal use of the same SUMITOMO CO LTD 2013-03-27 CN disclosed
CN-101679297-B LXR and FXR modulators EXELIXIS INC 2012-01-11 CN 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-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
US-7148217-B2 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-12 US disclosed
US-20060258649-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests SELBY THOMAS P 2006-11-16 US disclosed
CN-1568144-A Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests DU PONT (US) 2005-01-19 CN disclosed
US-20040214828-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY 2004-10-28 US disclosed
EP-1435785-A1 IMINOBENZOXAZINES, IMINOBENZOTHIAZINES AND IMINOQUINAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003032731-A1 IMINOBENZOXAZINES, IMINOBENZTHIAZINES AND IMINOQUINAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-24 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 (3 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-20040214828-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests NR0B1, IPO5, RER1 RXRA 1529/4885NR1H2 748/4885NR1H3 2085/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 RXRA 1418/4885NR1H2 2869/4885NR1H3 3657/4885
US-20060258649-A1 Iminobenzoxazines, iminobenzthiazines and iminoquinazolines for controlling invertebrate pests NR0B1, NR1I2, NR0B2 RXRA 653/4885NR1H2 12/4885NR1H3 56/4885

“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.