SCHEMBL1967534

SCHEMBL1967534

O=c1nccc(C(F)(F)F)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.39
TNF P01375 2/20 0.36
NOD1 Q9Y239 2/20 0.36
RAB9A P51151 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
IDO1 P14902 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL11930613 0.78 POLB (0.39) ALDH1A1POLBRAB9AIDO1AAK1
SCHEMBL30315297 0.70
SCHEMBL2927541 0.67
SCHEMBL3294173 0.67 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP2C9HPGD
Cytosine SCHEMBL29787229 0.65 POLB (0.42) KDM4EPOLBRAB9ANOS3NOS2
Uracil SCHEMBL29525634 0.65
SCHEMBL4795553 0.65
SCHEMBL21792155 0.65
Cytosine SCHEMBL308339 0.65
SCHEMBL10325788 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
CN-108137509-B Pyrrole, oxadiazole, triazole or tetrazole derivatives suitable for controlling arthropods 拜耳作物科学股份公司 2021-03-19 CN disclosed
CN-106083710-B Process for the synthesis of halogenated cyclic compounds 索尔维公司 2021-03-12 CN disclosed
EP-2334645-B1 PROCESS FOR THE SYNTHESIS OF FLUORINATED CYCLIC COMPOUNDS SOLVAY (BE) 2019-11-06 EP disclosed
CN-106083710-A For synthesizing the method for the cyclic compound of halogenation 索尔维公司 2016-11-09 CN disclosed
US-8981115-B2 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2015-03-17 US disclosed
US-20130237710-A1 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2013-09-12 US disclosed
US-8431710-B2 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2013-04-30 US disclosed
US-20110178297-A1 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2011-07-21 US disclosed
EP-2334645-A1 PROCESS FOR THE SYNTHESIS OF HALOGENATED CYCLIC COMPOUNDS Solvay SA (BE) 2011-06-22 EP disclosed
WO-2010037688-A1 PROCESS FOR THE SYNTHESIS OF HALOGENATED CYCLIC COMPOUNDS SOLVAY SA (BE) 2010-04-08 WO 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-20110178297-A1 Process for the synthesis of halogenated cyclic compounds CCNL2, AOC2, CCNY KDM4E 2469/4885ALDH1A1 1301/4885CYP1A2 8/4885
US-20130237710-A1 Process for the synthesis of halogenated cyclic compounds CCNL2, AOC2, CCNY KDM4E 2469/4885ALDH1A1 1301/4885CYP1A2 8/4885

“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.