SCHEMBL3595259

SCHEMBL3595259

CCOC(=O)CC(=O)c1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 4/20 0.54
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
AHR P35869 1/20 0.51
HPGD P15428 3/20 0.47
NPC1 O15118 5/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLK7 P49862 1/20 0.46

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
SCHEMBL12600101 0.83 ALOX15 (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10746855 0.81 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL18184673 0.79 RAB9A (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11625130 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL29703819 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL12600069 0.78 ESR1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12600065 0.77 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12600049 0.77 NPC1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4084274 0.77 MEN1 (0.48) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11626539 0.77 CYP1A2 (0.49) ALDH1A1MEN1KMT2AKDM4EPOLB

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
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2011-12-01 US disclosed
US-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 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 (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-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B MAPT 443/4885ALDH1A1 866/4885MEN1 1302/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 MAPT 4774/4885ALDH1A1 507/4885MEN1 2718/4885
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B MAPT 443/4885ALDH1A1 866/4885MEN1 1302/4885

“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.