SCHEMBL622328

SCHEMBL622328

CC(C)(C)OC(=O)COc1ccc2nccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 2/20 0.47
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MAPT P10636 6/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
IDH1 O75874 1/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL621664 0.83 SLC22A12 (0.54) KDM4EGAAHSD17B10MAPTPOLB
SCHEMBL29713663 0.80 LMNA (0.62) KDM4EGAAHSD17B10PSEN1PSEN2
SCHEMBL622032 0.80 MAPT (0.49) KDM4EGAAHSD17B10MAPTPOLB
SCHEMBL23733198 0.79 LMNA (0.50) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL7779177 0.78 KDM4E (0.44) KDM4EGAAHSD17B10PSEN1PSEN2
SCHEMBL5515918 0.78 PSEN1 (0.49) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL17024452 0.78 LMNA (0.53) KDM4EGAAPSEN1PSEN2APH1B
SCHEMBL2700897 0.78 ECE2 (0.50) KDM4EGAAHSD17B10MAPTPOLB
SCHEMBL20710996 0.77 MAPT (0.47) KDM4EGAAHSD17B10PSEN1PSEN2
SCHEMBL26691690 0.77 TYR (0.53) KDM4EGAAHSD17B10PSEN1PSEN2

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-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KDM4E 3573/4885GAA 4233/4885HSD17B10 1777/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KDM4E 3095/4885GAA 2813/4885HSD17B10 2381/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KDM4E 3095/4885GAA 2813/4885HSD17B10 2381/4885

“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.