SCHEMBL2051060

SCHEMBL2051060

Cc1ccc(N(C)C)cc1Oc1nnc(Cl)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
PTGS1 P23219 2/20 0.33
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 4/20 0.31
TSHR P16473 3/20 0.31
PTGS2 P35354 1/20 0.31
CALM1 P0DP23 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F2 P00734 2/20 0.30
TERT O14746 1/20 0.30
APP P05067 1/20 0.30
MAOA P21397 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
SCHEMBL2049817 0.82 NR1I2 (0.37) MAPTHPGDHSP90AA1
SCHEMBL2051523 0.82 TSHR (0.39) KMT2AALDH1A1TSHRTDP1HPGD
SCHEMBL2048547 0.82 CA12 (0.36) KMT2AL3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL2046845 0.82 L3MBTL1 (0.37) PTGS1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL2049766 0.80 CASP1 (0.43) KMT2AKDM4ENPC1ALDH1A1TSHR
SCHEMBL2047940 0.78 MEN1 (0.47) KMT2AL3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL2047091 0.78 TRPA1 (0.46) PTGS1
SCHEMBL2046361 0.77 HTT (0.44) L3MBTL1KDM4EALDH1A1TSHRPTGS2
SCHEMBL2052277 0.74 GPBAR1 (0.35) F10L3MBTL1ALDH1A1TSHRMAPT
Cyclopropane SCHEMBL21800894 0.74 KMT2A (0.44) KMT2AL3MBTL1NPC1ALDH1A1TSHR

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 F10 4395/4885PTGS1 2141/4885KMT2A 572/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 F10 4367/4885PTGS1 2365/4885KMT2A 493/4885

“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.