SCHEMBL4441108

SCHEMBL4441108

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1cccc(C(=O)Oc2cc(Cl)nnc2Oc2c(C)cccc2C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KMT2A Q03164 4/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
POLB P06746 2/20 0.33
RORC P51449 2/20 0.32
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CREBBP Q92793 1/20 0.31
SCN9A Q15858 1/20 0.31
GAA P10253 1/20 0.31
IGF2BP2 Q9Y6M1 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL27588813 0.97 CREBBP (0.36) HTTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2050072 0.95 HTT (0.43) HTTKMT2APOLBKDM4EMAPT
SCHEMBL2051698 0.95 KMT2A (0.41) HTTKMT2APOLBKDM4EMAPT
SCHEMBL2046831 0.95 KMT2A (0.36) HTTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL4444473 0.95 POLB (0.36) HTTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2049628 0.93 HTT (0.34) HTTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2045645 0.93 KMT2A (0.40) HTTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2047651 0.93 KMT2A (0.35) HTTKMT2AKDM4EMAPTMEN1
SCHEMBL2047811 0.92 MAPT (0.36) HTTKMT2ASLC6A2SLC6A4POLB
SCHEMBL2043866 0.92 HTT (0.35) HTTKMT2AHTR1ASLC6A2SLC6A4

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-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 (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-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTT 522/4885KMT2A 493/4885HTR1A 2135/4885

“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.