SCHEMBL2288150

SCHEMBL2288150

CCOC(=O)c1cnc2c(c1O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ACHE P22303 4/20 0.47
ALDH1A1 P00352 4/20 0.45
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSP90AA1 P07900 1/20 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
SCHEMBL9686907 0.99 ACHE (0.48) KDM4EACHEALDH1A1GLAGAA
SCHEMBL9686653 0.99 ACHE (0.48) KDM4EACHEALDH1A1GLAGAA
SCHEMBL9693221 0.99 ACHE (0.48) KDM4EACHEALDH1A1GLAGAA
SCHEMBL9687353 0.99 ACHE (0.48) KDM4EACHEALDH1A1GLAGAA
SCHEMBL9693584 0.97 ACHE (0.47) KDM4EACHEALDH1A1GLAGAA
SCHEMBL7912951 0.86 ACHE (0.49) KDM4EACHEALDH1A1GLAGAA
SCHEMBL2293526 0.84 ACHE (0.49) KDM4EACHEALDH1A1GLAGAA
SCHEMBL18779359 0.84 ACHE (0.43) KDM4EACHEALDH1A1GAAKMT2A
SCHEMBL9686312 0.83 ACHE (0.50) KDM4EACHEALDH1A1GLAGAA
SCHEMBL9687387 0.83 ACHE (0.50) KDM4EACHEALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195950-A1 Organic Compounds NOVARTIS AG 2011-08-11 US disclosed
EP-2188284-A2 TRICYCLIC HETEROCYCLIC COMPOUNDS AS GABA A MODULATORS Novartis Ag (CH) 2010-05-26 EP disclosed
WO-2009021957-A2 TRICYCLIC HETEROCYCLIC COMPOUNDS AS GABA A MODULATORS NOVARTIS AG (CH) 2009-02-19 WO disclosed
EP-0168350-B1 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1992-05-06 EP disclosed
US-4814450-A CENTRAL NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1989-03-21 US disclosed
US-4740512-A Treating anxiety with certain ring-fused pyrazolo[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed
US-4647566-A Certain ring-fused pyrazolo[3,4-d]-pyridin-3-one derivatives in treating anxiety CIBA-GEIGY CORPORATION (US) 1987-03-03 US disclosed
US-4602014-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
EP-0168350-A2 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1986-01-15 EP 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-20110195950-A1 Organic Compounds NR3C2, NR4A1, NR4A2 KDM4E 3319/4885ACHE 3680/4885ALDH1A1 1945/4885

“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.