SCHEMBL2049697

SCHEMBL2049697

FC1(c2ccccc2Oc2nnc(Cl)cc2Cl)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIN1 Q13526 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NR1I2 O75469 1/20 0.30
HSD11B1 P28845 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL2044991 0.86 PIN1 (0.36) PIN1ALDH1A1RAB9AL3MBTL1
SCHEMBL2048239 0.78 NPC1 (0.32) LMNAADRB2SMN1; SMN2NPC1MAPT
SCHEMBL2050373 0.74 SMN1; SMN2 (0.50) CYP1A2CYP2C19LMNAADRB2SMN1; SMN2
SCHEMBL2046727 0.74 LMNA (0.32) LMNAADRB2SMN1; SMN2
SCHEMBL2051104 0.72 LMNA (0.35) CYP1A2CYP3A4CYP2C19LMNAADRB2
SCHEMBL2048264 0.72 SLC6A2 (0.40) CYP1A2CYP3A4CYP2C19LMNAADRB2
SCHEMBL2048957 0.71 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C19LMNAADRB2
SCHEMBL2049260 0.71 HTR1A (0.44)
SCHEMBL2046921 0.71 LMNA (0.32) LMNAADRB2SMN1; SMN2PIN1ALDH1A1
SCHEMBL2047766 0.69 ALOX5 (0.33) PIN1ALDH1A1RAB9AL3MBTL1NR1I2

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 CYP1A2 21/4885CYP3A4 89/4885CYP2C19 69/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CYP1A2 29/4885CYP3A4 132/4885CYP2C19 146/4885

“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.