SCHEMBL3242691

SCHEMBL3242691

CC(C)(C)[S+]([O-])N=C(c1cccc(OCCCF)c1)c1cccnc1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.32
PLCG1 P19174 1/20 0.31
ELANE P08246 2/20 0.31
PRSS1 P07477 6/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL3242716 1.00 KMT2A (0.34) KMT2AMEN1MAPTCYP2C19PLCG1
SCHEMBL3242715 1.00 KMT2A (0.34) KMT2AMEN1MAPTCYP2C19PLCG1
SCHEMBL7915963 1.00 KMT2A (0.34) KMT2AMEN1MAPTCYP2C19PLCG1
SCHEMBL7914680 0.90 MEN1 (0.32) KMT2AMEN1PLCG1ELANELMNA
SCHEMBL3243779 0.90 MEN1 (0.32) KMT2AMEN1PLCG1ELANELMNA
SCHEMBL3247087 0.90 MEN1 (0.32) KMT2AMEN1PLCG1ELANELMNA
SCHEMBL3247082 0.90 MEN1 (0.32) KMT2AMEN1PLCG1ELANELMNA
SCHEMBL3240637 0.86 ALDH1A1 (0.38) KMT2AMEN1MAPTPLCG1ELANE
SCHEMBL3240641 0.86 ALDH1A1 (0.38) KMT2AMEN1MAPTPLCG1ELANE
SCHEMBL7921168 0.86 ALDH1A1 (0.38) KMT2AMEN1MAPTPLCG1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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 (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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 KMT2A 3888/4885MEN1 2423/4885MAPT 5/4885

“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.