SCHEMBL4664368

SCHEMBL4664368

COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-c4cccc(OCCCN5CCOCC5)c4)ncn3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
KIT P10721 4/20 0.51
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 1/20 0.47
SRC P12931 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4666149 0.92 KIT (0.54) EPHX2KITABL1BCRHDAC3
SCHEMBL4665611 0.89 ABL1 (0.49) EPHX2ABL1BCRMAPTKMT2A
SCHEMBL4665728 0.88 LMNA (0.51) KITABL1BCRHDAC3HDAC4
SCHEMBL4667480 0.86 ABL1 (0.51) EPHX2KITABL1BCRBRAF
SCHEMBL4663992 0.86 GAA (0.50) EPHX2KITABL1BCRMAPT
SCHEMBL4663979 0.85 ABL1 (0.50) EPHX2ABL1BCRSRCBRAF
Formic Acid SCHEMBL4666082 0.81 HRH3 (0.53) KITABL1BCRMAPTHDAC3
SCHEMBL4665847 0.81 ABL1 (0.51) EPHX2ABL1BCRTSHR
SCHEMBL4664346 0.81 ABL1 (0.50) EPHX2KITABL1BCRBRAF
SCHEMBL4666140 0.80 ABL1 (0.49) KITABL1BCRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors ALTANA PHARMA AG (DE) 2008-10-02 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-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors MAP3K19, MAP3K6, MAP3K20 EPHX2 3722/4885KIT 675/4885ABL1 24/4885

“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.