SCHEMBL2053013

SCHEMBL2053013

COc1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 3/20 0.40
ALOX15 P16050 2/20 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
SCHEMBL2051380 0.88 ALDH1A1 (0.41) CA1CA2TP53TSHRALDH1A1
SCHEMBL2051725 0.87 CA1 (0.40) CA1CA2TP53TSHRALDH1A1
SCHEMBL2048850 0.87 TP53 (0.42) CA1CA2TP53TSHRALDH1A1
SCHEMBL2048736 0.86 ALDH1A1 (0.40) CA1CA2TP53TSHRALDH1A1
SCHEMBL2049679 0.86 ALDH1A1 (0.40) CA1CA2TP53TSHRALDH1A1
SCHEMBL2047260 0.85 LMNA (0.46) ALDH1A1L3MBTL1RAB9AHTTKMT2A
SCHEMBL2049495 0.85 RAB9A (0.39) ALDH1A1L3MBTL1RAB9AMAPK1KMT2A
SCHEMBL2049361 0.85 ALDH1A1 (0.40) CA1CA2TP53TSHRALDH1A1
SCHEMBL2048919 0.84 SLC6A2 (0.39) ALDH1A1RAB9AKMT2AMAPTLMNA
SCHEMBL2047940 0.84 MEN1 (0.47) TSHRALDH1A1L3MBTL1RAB9AHTT

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 CA1 4294/4885CA2 1032/4885TP53 4121/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CA1 3575/4885CA2 644/4885TP53 3824/4885

“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.