SCHEMBL2052175

SCHEMBL2052175

Cc1ccc(C(=O)Oc2cc(Cl)nnc2Oc2c(C)cccc2C2CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TNF P01375 1/20 0.35
PKM P14618 1/20 0.35
CDK5 Q00535 1/20 0.35
KLF5 Q13887 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NOD1 Q9Y239 1/20 0.35
RORC P51449 4/20 0.34
KDM4C Q9H3R0 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
IDO1 P14902 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
HPGD P15428 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
SCHEMBL2044028 0.93 MAPT (0.34) NPC1RORCKDM4CHTR1ASLC6A2
SCHEMBL2048042 0.91 KMT2A (0.38) PKMRORCHTR1ASLC6A2SLC6A4
SCHEMBL2051208 0.91 NPSR1 (0.37) RORCHTR1ASLC6A2SLC6A4PDK2
SCHEMBL2047758 0.90 ESR1 (0.36) RAB9ANPC1HTR1ASLC6A2SLC6A4
SCHEMBL4441314 0.90 KDM4E (0.36) RORCHTR1ASLC6A2SLC6A4MEN1
SCHEMBL4444473 0.89 POLB (0.36) RORCHTR1ASLC6A2SLC6A4KMT2A
SCHEMBL2051434 0.89 ALDH1A1 (0.34) RORCHTR1ASLC6A2SLC6A4MEN1
SCHEMBL4441108 0.88 HTT (0.36) RORCHTR1ASLC6A2SLC6A4MEN1
SCHEMBL2050486 0.88 ESR1 (0.41) RAB9ANPC1PKMRORCHTR1A
SCHEMBL2044787 0.88 NPSR1 (0.38) RAB9ANPC1KMT2AIDO1HPGD

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 RAB9A 2582/4885NPC1 4734/4885TNF 4862/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RAB9A 3242/4885NPC1 4829/4885TNF 4854/4885

“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.