SCHEMBL2052955

SCHEMBL2052955

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
EGFR P00533 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SSTR4 P31391 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
RORC P51449 1/20 0.33
SSTR1 P30872 1/20 0.33
APP P05067 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
SCHEMBL2052397 0.93 FAAH (0.38) FAAHHRH3LMNATP53RORC
SCHEMBL2046411 0.93 ALDH1A1 (0.39) FAAHHRH3LMNATP53RORC
SCHEMBL2052959 0.92 TSHR (0.40) FAAHHRH3LMNATP53
SCHEMBL2048970 0.91 MEN1 (0.41) FAAHHRH3LMNA
SCHEMBL2048610 0.91 FAAH (0.39) FAAHHRH3RORC
SCHEMBL29358344 0.90 TSHR (0.42) FAAHTP53
SCHEMBL2050117 0.90 FAAH (0.37) FAAHHRH3RORC
SCHEMBL2044508 0.90 TSHR (0.42) FAAHTP53
SCHEMBL2045795 0.89 FAAH (0.45) FAAHLMNA
SCHEMBL2046290 0.88 FAAH (0.37) FAAHHRH3RORC

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 FAAH 1148/4885HRH3 26/4885HTR1D 485/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 FAAH 951/4885HRH3 31/4885HTR1D 720/4885

“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.