SCHEMBL900672

SCHEMBL900672

FC(F)(F)Sc1c[c]ccc1Cl

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL900861 0.86
SCHEMBL901019 0.83 ALDH1A1 (0.32) KDM4EALDH1A1TDP1
SCHEMBL900822 0.79 PDE2A (0.31) KDM4EALDH1A1TDP1
SCHEMBL7276412 0.76
SCHEMBL900438 0.75 PDE2A (0.34) KDM4EALDH1A1TDP1
SCHEMBL7473611 0.73 SMN1; SMN2 (0.30)
SCHEMBL11526939 0.73
SCHEMBL25342008 0.73
SCHEMBL3549153 0.73
SCHEMBL3547615 0.73 HTR2A (0.40)

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
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-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-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-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
CN-101952279-A Azolylmethyloxiranes, use thereof and agents containing the same BASF SE 2011-01-19 CN disclosed
CN-101945580-A Azolylmethyloxiranes, use thereof and compositions comprising them BASF SE 2011-01-12 CN 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

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.