SCHEMBL2647692

SCHEMBL2647692

COc1ccc(OCC2CCC(NC3CCCCC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.50
EPHX2 P34913 2/20 0.47
RAB9A P51151 3/20 0.46
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL2648527 1.00 TDP1 (0.55) TDP1KDM4EMAPTEPHX2RAB9A
SCHEMBL2647690 1.00 TDP1 (0.55) TDP1KDM4EMAPTEPHX2RAB9A
SCHEMBL2648523 1.00 TDP1 (0.55) TDP1KDM4EMAPTEPHX2RAB9A
SCHEMBL2649133 0.85 LTA4H (0.46) EPHX2PARP15PARP10LMNA
SCHEMBL2649651 0.85 LTA4H (0.46) EPHX2PARP15PARP10LMNA
SCHEMBL2649649 0.85 LTA4H (0.46) EPHX2PARP15PARP10LMNA
SCHEMBL2649126 0.85 LTA4H (0.46) EPHX2PARP15PARP10LMNA
SCHEMBL2648383 0.84 CARM1 (0.47) RAB9APARP15PARP10MEN1LMNA
SCHEMBL2647769 0.84 CARM1 (0.47) RAB9APARP15PARP10MEN1LMNA
SCHEMBL2647771 0.84 CARM1 (0.47) RAB9APARP15PARP10MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 TDP1 3636/4885KDM4E 1897/4885MAPT 2197/4885

“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.