SCHEMBL3306629

SCHEMBL3306629

CC(=O)OC(=O)Cc1c(C(=O)O)n(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 2/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.54
GFER P55789 1/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MCL1 Q07820 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
EGFR P00533 1/20 0.50
BCL2 P10415 1/20 0.49

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
SCHEMBL3306625 0.93 KDM4E (0.59) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL7828672 0.83 EGFR (0.66) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL2272671 0.78 MEN1 (0.62) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL29110691 0.76 MEN1 (0.82) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL28051926 0.76 KDM4E (0.58) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL7203206 0.74 MEN1 (0.57) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL9449427 0.73 KDM4E (0.56) KDM4ETSHRMEN1KMT2APOLB
SCHEMBL11310708 0.73 EGFR (0.49) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL27967619 0.71 KDM4E (0.52) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL9263671 0.71 MCL1 (0.61) KDM4ETSHRMEN1KMT2APOLB

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-20100099732-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-22 US disclosed
EP-2139855-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-06 EP disclosed
WO-2008113747-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-09-25 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-20100099732-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS KCNN2, KCNN1, KCNN3 KDM4E 261/4885MAPT 1696/4885TSHR 4327/4885

“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.