SCHEMBL2159760

SCHEMBL2159760

CCSc1ncnn1C(CCCCOc1ccccc1F)C(O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 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
SCHEMBL2159683 0.84 MAPK1 (0.41) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2161013 0.77 MAPK1 (0.52) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2159802 0.77 MAPK1 (0.31) MAPK1
SCHEMBL12336849 0.77 L3MBTL1 (0.38) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1282528 0.72 L3MBTL1 (0.55) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9635979 0.71 L3MBTL1 (0.54) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2160987 0.69 MEN1 (0.47) MAPK1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL12336846 0.69 MEN1 (0.47) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2161023 0.69 MEN1 (0.31) MEN1KMT2ATDP1
SCHEMBL12336850 0.69 HSP90AB1 (0.34) GRM2

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 1464/4885MEN1 1942/4885KMT2A 2752/4885

“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.