SCHEMBL900457

SCHEMBL900457

FC(F)(F)Sc1cc[c]c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPRZ1 P23471 2/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KCNK2 O95069 2/20 0.31
KCNK10 P57789 2/20 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
SCHEMBL900844 0.78 KDM4E (0.39) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL900816 0.78 KDM4E (0.39) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL10355133 0.77 PTPRZ1 (0.41) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL7472928 0.76 SMN1; SMN2 (0.40) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL16467655 0.76 KDM4E (0.38) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL697959 0.74 KDM4E (0.38) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL1009669 0.73
SCHEMBL1009593 0.72
SCHEMBL15353613 0.72 KDM4E (0.34) KDM4EALDH1A1TDP1PTPRZ1KCNH2
SCHEMBL7468239 0.72 KDM4E (0.34) KDM4EALDH1A1TDP1PTPRZ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
US-20130184465-A1 Process for the synthesis of thio-triazolo-group containing compounds BASF SE (DE) 2013-07-18 US disclosed
WO-2012146535-A1 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES BASF SE (DE) 2012-11-01 WO disclosed
WO-2012146598-A1 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 4-AMINO-2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES BASF SE (DE) 2012-11-01 WO disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 US disclosed
CN-101902914-A Azolylmethyloxiranes, use thereof and compositions comprising same BASF SE 2010-12-01 CN disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 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 (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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 KDM4E 650/4885ALDH1A1 20/4885TDP1 2342/4885
US-20130184465-A1 Process for the synthesis of thio-triazolo-group containing compounds WEE1, SLC39A11, TST KDM4E 3187/4885ALDH1A1 3051/4885TDP1 1080/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 KDM4E 742/4885ALDH1A1 14/4885TDP1 2759/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH KDM4E 718/4885ALDH1A1 25/4885TDP1 2562/4885

“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.