SCHEMBL2333762

SCHEMBL2333762

FC(F)(F)c1c[c]c(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
PDE2A O00408 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL17238705 0.80 PLAU (0.36) PLAUPDE2AALDH1A1HPGDPOLB
SCHEMBL715069 0.80 PLAU (0.36) PLAUPDE2AALDH1A1HPGDPOLB
SCHEMBL17434720 0.80 CES2 (0.34) ALDH1A1HPGDTDP1CYP3A4ALOX15
SCHEMBL630411 0.78 PLAU (0.35) PLAUPDE2AALDH1A1HPGDPOLB
SCHEMBL19471036 0.78 NOTUM (0.35) PLAUPDE2AALDH1A1HPGDPOLB
SCHEMBL17238695 0.75 PDE2A (0.36) PLAUPDE2AALDH1A1HPGDPOLB
SCHEMBL3411258 0.75 KDM1A (0.38) PDE2AALDH1A1CYP3A4TSHRL3MBTL1
SCHEMBL16858738 0.74 KMT2A (0.35) PLAUPDE2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1992298 0.74 GABRB3 (0.38) PLAUPDE2ASMN1; SMN2GABRA2GABRB2
SCHEMBL29052774 0.71 CYP3A4 (0.61) ALDH1A1HPGDPOLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885027-A PLANT GROWTH REGULATORS; NONPHYTOTOXIC; PRE- AND POST EMERGENCE CHEVRON RESEARCH COMPANY (US) 1989-12-05 US claimed
US-4831179-A HERBICIDES CHEVRON RESEARCH COMPANY (US) 1989-05-16 US claimed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP disclosed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO disclosed
US-4885027-A PLANT GROWTH REGULATORS; NONPHYTOTOXIC; PRE- AND POST EMERGENCE CHEVRON RESEARCH COMPANY (US) 1989-12-05 US disclosed
US-4831179-A HERBICIDES CHEVRON RESEARCH COMPANY (US) 1989-05-16 US 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 (3 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS PLAU 4408/4885PDE2A 712/4885ALDH1A1 2740/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PLAU 4408/4885PDE2A 712/4885ALDH1A1 2740/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 PLAU 1745/4885PDE2A 984/4885ALDH1A1 482/4885

“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.