SCHEMBL2044641

SCHEMBL2044641

Fc1ccccc1Oc1ccc(Oc2ccccc2F)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
MAP4K4 O95819 1/20 0.49
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HTR1A P08908 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 3/20 0.42
PARP10 Q53GL7 1/20 0.42
CXCL8 P10145 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RHEB Q15382 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21241053 0.84 MEN1 (0.47) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL30773497 0.80 HTR1A (0.55) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL2389927 0.80 HTR1A (0.55) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL2048776 0.78 ALDH1A1 (0.51) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL6293091 0.78 HTR1A (0.59) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL6289414 0.78 HTR1A (0.59) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL6289399 0.78 HTR1A (0.59) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL6293887 0.78 HTR1A (0.59) MEN1KMT2AALDH1A1ESR1HTR1A
SCHEMBL18984674 0.77 MEN1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL2047665 0.77 ALDH1A1 (0.50) MEN1KMT2ANPC1TSHRRAB9A

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 MEN1 4596/4885KMT2A 572/4885NPC1 4734/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885NPC1 4829/4885

“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.