SCHEMBL2260571

SCHEMBL2260571

CNc1nc(Cl)nc(N2CCC(C(=O)OC)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
EPHX2 P34913 9/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL22807107 0.89 SMN1; SMN2 (0.55) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL2265144 0.88 MAPK1 (0.54) KMT2ALMNASMN1; SMN2MEN1EPHX2
SCHEMBL2259603 0.86 KDM4E (0.54) KMT2ALMNAEPHX2MAPK1KDM4E
SCHEMBL22807113 0.77 KMT2A (0.52) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL14503836 0.76 SMN1; SMN2 (0.51) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL2264334 0.74 MAPT (0.57) KMT2ALMNASMN1; SMN2MEN1MAPK1
SCHEMBL901378 0.72 LMNA (0.66) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL2240205 0.72 HTR1A (0.50) KMT2A
SCHEMBL3026440 0.72 L3MBTL1 (0.45) KMT2ASMN1; SMN2MEN1EPHX2MAPK1
SCHEMBL3783886 0.72 RORC (0.40) KMT2AEPHX2MAPK1KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209376-B1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC (US) 2013-03-06 EP disclosed
US-8008483-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2011-08-30 US disclosed
US-20100210628-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
EP-2209376-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-07-28 EP disclosed
WO-2009049165-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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-20100210628-A1 NOVEL sEH INHIBITORS AND THEIR USE EPHX1, NCEH1, CYP46A1 KMT2A 938/4885LMNA 2667/4885SMN1; SMN2 4283/4885

“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.