SCHEMBL2048879

SCHEMBL2048879

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.35
NOTUM Q6P988 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORC P51449 2/20 0.32
PPARG P37231 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL2049626 0.93 RBP4 (0.37) RBP4HTR1ASLC6A2SLC6A4CYP2D6
SCHEMBL2047894 0.90 HTR1A (0.39) RBP4NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL4441314 0.87 KDM4E (0.36) NOTUMHTR1ASLC6A2SLC6A4CYP2C19
SCHEMBL2051880 0.87 HTR1A (0.39) RBP4NOTUMHTR1ASLC6A2SLC6A4
SCHEMBL2048743 0.87 RBP4 (0.41) RBP4HTR1ASLC6A2SLC6A4CYP2C19
SCHEMBL2048042 0.86 KMT2A (0.38) HTR1ASLC6A2SLC6A4CYP2C19RORC
SCHEMBL2045391 0.86 RORC (0.35) HTR1ASLC6A2SLC6A4MRGPRX4CYP2C19
SCHEMBL2051434 0.86 ALDH1A1 (0.34) NOTUMHTR1ASLC6A2SLC6A4RORC
SCHEMBL2051414 0.85 KMT2A (0.40) HTR1ASLC6A2SLC6A4RORCSLC6A3
SCHEMBL2051177 0.84 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2HTR1ASLC6A2

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
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP 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 (2 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 RBP4 2255/4885NOTUM 1194/4885TAS1R3 1978/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RBP4 2406/4885NOTUM 1179/4885TAS1R3 2307/4885

“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.