SCHEMBL2051866

SCHEMBL2051866

Oc1cc(Cl)nnc1Oc1ccccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR1A P08908 7/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR Q13258 2/20 0.37
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
RBP4 P02753 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL2049228 0.99 ADRA2A (0.40) PTGDR2ADRA2AADRA2BADRA2CHTR1A
SCHEMBL2046414 0.96 HTR1A (0.40) PTGDR2ADRA2AADRA2BADRA2CHTR1A
SCHEMBL2047443 0.93 HTR1A (0.41) ADRA2AADRA2BADRA2CHTR1ASLC6A2
SCHEMBL2045621 0.81 LMNA (0.32) HTR1ASLC6A2SLC6A4SLC6A3DRD1
SCHEMBL2051868 0.81 KDM1A (0.35) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2049260 0.80 HTR1A (0.44) ADRA2AADRA2BADRA2CHTR1ASLC6A2
Cyclopropane SCHEMBL21800894 0.80 KMT2A (0.44) HTR1ASLC6A2SLC6A4MEN1KMT2A
SCHEMBL2047563 0.80 SLC6A2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2046257 0.80 LMNA (0.31) HTR1ASLC6A2SLC6A4SLC6A3DRD1
SCHEMBL2050922 0.80 TP53 (0.32) HTR1ASLC6A2SLC6A4SLC6A3DRD1

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 5 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
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 PTGDR2 666/4885ADRA2A 465/4885ADRA2B 736/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 PTGDR2 627/4885ADRA2A 747/4885ADRA2B 1077/4885

“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.