SCHEMBL2047665

SCHEMBL2047665

Oc1cc(Oc2ccccc2F)nnc1Oc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 1/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MRGPRX1 Q96LB2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
BRAF P15056 1/20 0.37
MAP4K4 O95819 1/20 0.37
GCK P35557 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CXCL8 P10145 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL2049660 0.83 ALDH1A1 (0.49) ALDH1A1ESR1MEN1KMT2AKDM4E
SCHEMBL2046159 0.82 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL2048776 0.82 ALDH1A1 (0.51) ALDH1A1ESR1MEN1KMT2ALMNA
SCHEMBL2045611 0.81 ALDH1A1 (0.50) ALDH1A1ESR1MEN1KMT2ALMNA
SCHEMBL2044641 0.77 MEN1 (0.59) ALDH1A1ESR1MEN1KMT2AKDM4E
SCHEMBL2048338 0.71 TRPA1 (0.40) ALDH1A1ESR1RAB9AGCK
SCHEMBL2053034 0.70 ALDH1A1 (0.39) ALDH1A1ESR1MEN1KMT2AKDM4E
SCHEMBL9481574 0.69 KDM4E (0.51) ALDH1A1ESR1MEN1KMT2AKDM4E
SCHEMBL21241053 0.68 MEN1 (0.47) ALDH1A1ESR1MEN1KMT2ALMNA
SCHEMBL2389927 0.67 HTR1A (0.55) ALDH1A1ESR1MEN1KMT2AKDM4E

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 ALDH1A1 447/4885ESR1 2816/4885MEN1 4596/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885ESR1 2410/4885MEN1 4495/4885

“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.