SCHEMBL2051653

SCHEMBL2051653

[O]c1cccc(F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
TRPA1 O75762 1/20 0.35
SLC22A12 Q96S37 1/20 0.33
BCHE P06276 1/20 0.32
P2RX7 Q99572 2/20 0.31
PTGS2 P35354 1/20 0.31
HSD11B1 P28845 1/20 0.31
SLC6A4 P31645 2/20 0.31
SCN9A Q15858 1/20 0.31
SLC6A2 P23975 1/20 0.31
ALB P02768 1/20 0.30
ERN1 O75460 1/20 0.30
P2RX1 P51575 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 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
SCHEMBL1541726 0.82 TRPA1 (0.40) HCAR1CES2CES1TRPA1BCHE
SCHEMBL3106196 0.79 CES2 (0.34) CES2CES1BCHE
SCHEMBL14932033 0.78 HSD11B1 (0.41) CES1P2RX7HSD11B1MEN1KMT2A
SCHEMBL7602903 0.78 HSD11B1 (0.41) HCAR1CES1TRPA1SLC22A12P2RX7
SCHEMBL28312425 0.74 PGR (0.36) HCAR1CES2CES1TRPA1PGR
SCHEMBL30394700 0.74 PGR (0.36) HCAR1CES2CES1TRPA1PGR
SCHEMBL2799904 0.74 NOTUM (0.42) CES1P2RX7PTGS2MEN1KMT2A
SCHEMBL27956349 0.73 TRPA1 (0.36) HCAR1CES2CES1TRPA1P2RX7
SCHEMBL28004081 0.73 CES2 (0.37) HCAR1CES2CES1TRPA1BCHE
SCHEMBL936662 0.71 NOTUM (0.43) HCAR1TRPA1MEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
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-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 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
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 WO 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 (4 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HCAR1 652/4885CES2 1331/4885CES1 2408/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 HCAR1 835/4885CES2 112/4885CES1 1082/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HCAR1 652/4885CES2 1331/4885CES1 2408/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HCAR1 807/4885CES2 124/4885CES1 1476/4885

“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.