SCHEMBL14729682

SCHEMBL14729682

Fc1cc(C(F)(F)F)ccc1-c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
PTGER1 P34995 4/20 0.41
LRRK2 Q5S007 3/20 0.40
MPL P40238 1/20 0.40
CYP2C9 P11712 1/20 0.39
GRM2 Q14416 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PPIA P62937 2/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 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
SCHEMBL14729667 0.87 MRGPRX4 (0.48) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL14729658 0.85 PPIA (0.43) CYP11B1CYP11B2PTGER1MRGPRX4FEN1
SCHEMBL14729678 0.83 PTGER1 (0.46) SLC6A4PTGER1MRGPRX4FEN1
SCHEMBL14729703 0.81 MRGPRX4 (0.43) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL14729714 0.81 PTPN1 (0.50) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL14729718 0.80 CYP2C19 (0.46) RXRARXRBRXRGCYP2C9MRGPRX4
SCHEMBL14719605 0.79 HTR2C (0.40) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL21778738 0.77 FEN1 (0.50) RXRARXRBRXRGMRGPRX4ALOX5AP
SCHEMBL18784923 0.77 ALOX5AP (0.44) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL14729679 0.76 CYP11B1 (0.44) RXRARXRBRXRGHTR2CSLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748149-B9 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-11-15 EP disclosed
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 US disclosed
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 RXRA 438/4885RXRB 388/4885RXRG 469/4885

“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.