SCHEMBL2657729

SCHEMBL2657729

CC1CCC(NCc2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
LTA4H P09960 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP19A1 P11511 1/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 1/20 0.42
POLB P06746 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL662613 0.91 KDM4E (0.59) KDM4ELMNAGAASMN1; SMN2MEN1
SCHEMBL25992753 0.83 HRH3 (0.63) KDM4ELMNAGAASMN1; SMN2MEN1
SCHEMBL12680885 0.81 GRIN2B (0.62) LTA4HMEN1RAB9AKMT2AGRIN2B
SCHEMBL9028836 0.81 GRIN2B (0.62) LTA4HMEN1RAB9AKMT2AGRIN2B
SCHEMBL12680887 0.81 GRIN2B (0.62) LTA4HMEN1RAB9AKMT2AGRIN2B
SCHEMBL5863541 0.81 HRH3 (0.67) KDM4ELMNAGAASMN1; SMN2CYP19A1
SCHEMBL22570306 0.80 ALDH1A1 (0.72) KDM4EKMT2APKMALDH1A1HRH3
SCHEMBL12385809 0.80 ALDH1A1 (0.72) KDM4EKMT2APKMALDH1A1HRH3
SCHEMBL23124984 0.80 MEN1 (0.66) KDM4ELMNAGAASMN1; SMN2MEN1
SCHEMBL3440379 0.80 MEN1 (0.51) KDM4ELTA4HMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 KDM4E 2001/4885LMNA 3982/4885GAA 55/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 KDM4E 2001/4885LMNA 3982/4885GAA 55/4885

“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.