SCHEMBL2159683

SCHEMBL2159683

CC(C)(C)C(O)C(CCCCOc1ccccc1F)n1ncnc1S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
TTR P02766 1/20 0.34
RAB9A P51151 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.32

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
SCHEMBL2159802 0.90 MAPK1 (0.31) MAPK1TTR
SCHEMBL2161023 0.84 MEN1 (0.31) TDP1KMT2AMEN1
SCHEMBL2159760 0.84 MAPK1 (0.40) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL2161013 0.80 MAPK1 (0.52) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL12336849 0.80 L3MBTL1 (0.38) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL1282528 0.73 L3MBTL1 (0.55) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL9635979 0.72 L3MBTL1 (0.54) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL1282133 0.70 MAPK1 (0.42) MAPK1L3MBTL1TDP1KMT2AMEN1
SCHEMBL12336846 0.70 MEN1 (0.47) MAPK1TDP1KMT2AMEN1CYP1A2
SCHEMBL2160987 0.70 MEN1 (0.47) MAPK1TDP1KMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-07-28 US disclosed
EP-2346838-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040718-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 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 (1 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-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them OAT, ABAT, TYR MAPK1 1464/4885L3MBTL1 3615/4885TDP1 1211/4885

“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.