SCHEMBL2048735

SCHEMBL2048735

Cc1cccc(C(C)(C)C)c1Oc1nnc(Cl)cc1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
SCN9A Q15858 1/20 0.39
NLRP3 Q96P20 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SCN2A Q99250 2/20 0.35
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.31
ATM Q13315 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
SCHEMBL2048521 0.87 HSP90AA1 (0.39) SCN9AALDH1A1SCN2ATSHRHSP90AA1
SCHEMBL2051519 0.86 SCN9A (0.43) GABRA1GABRB2SCN9ANLRP3ALDH1A1
SCHEMBL2044813 0.86 CA2 (0.33) GABRA1GABRB2ALDH1A1CA2TSHR
SCHEMBL2047471 0.83 RORC (0.38) SCN9AHSP90AA1GAAKDM4E
SCHEMBL2052298 0.82 CNR2 (0.31) CA2
SCHEMBL2046126 0.81 HSP90AA1 (0.32) ALDH1A1HSP90AA1
SCHEMBL2047581 0.81 HSP90AA1 (0.32) HSP90AA1
SCHEMBL2044730 0.81 TDP1 (0.41) ALDH1A1TSHRTDP1ATM
SCHEMBL2047459 0.80 ALDH1A1 (0.37) SCN9AALDH1A1CA2TSHRHSP90AA1
SCHEMBL2048592 0.79 LMNA (0.39) GABRA1GABRB2SCN9ANLRP3SCN2A

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 GABRA1 2526/4885GABRB2 2376/4885SCN9A 1564/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 GABRA1 2555/4885GABRB2 2291/4885SCN9A 1682/4885

“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.