SCHEMBL2047600

SCHEMBL2047600

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CACNA1B Q00975 1/20 0.33
DRD3 P35462 1/20 0.32
ENPP3 O14638 1/20 0.32
ALPL P05186 1/20 0.32
XIAP P98170 1/20 0.32
SYK P43405 1/20 0.32
DRD4 P21917 2/20 0.32
FAAH O00519 1/20 0.32
HTR6 P50406 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
SCHEMBL4444473 0.92 POLB (0.36) KMT2AALDH1A1HTT
SCHEMBL4441108 0.91 HTT (0.36) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL2046831 0.90 KMT2A (0.36) KMT2AMEN1ALDH1A1HTT
SCHEMBL2047811 0.89 MAPT (0.36) KMT2AMEN1HTTHTR6
SCHEMBL2047758 0.89 ESR1 (0.36) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27588852 0.89 RORC (0.37) ALDH1A1
SCHEMBL2050264 0.89 KMT2A (0.37) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2049057 0.88 AKR1C3 (0.38) NPC1RAB9AKMT2AMEN1
SCHEMBL2052946 0.88 ALDH1A1 (0.35) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2052279 0.88 FFAR2 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 NPC1 4734/4885RAB9A 2582/4885KMT2A 572/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 NPC1 4829/4885RAB9A 3242/4885KMT2A 493/4885

“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.