SCHEMBL3374427

SCHEMBL3374427

COc1ccc2ncccc2c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.59
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
SYK P43405 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
GAA P10253 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
SCHEMBL20562670 0.81 ERN1 (0.65) ERN1KDM4EMAPTALDH1A1KMT2A
SCHEMBL3156151 0.81 KMT2A (0.59) ERN1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3156135 0.79 ERN1 (0.58) ERN1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL28453350 0.78 ERN1 (0.55) ERN1KDM4EMAPTSYKALDH1A1
SCHEMBL30203664 0.78 ERN1 (0.55) ERN1KDM4EMAPTSYKALDH1A1
SCHEMBL747786 0.77 ERN1 (0.59) ERN1KDM4EMAPTALDH1A1KMT2A
SCHEMBL3959717 0.77 ERN1 (0.45) ERN1KDM4EMAPTSYKHPGD
SCHEMBL3148928 0.76 ERN1 (0.41) ERN1KDM4ESYKHPGDALDH1A1
SCHEMBL20562170 0.76 ALDH1A1 (0.49) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL3147218 0.76 MAPT (0.54) ERN1KDM4EMAPTSYKHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed
US-4812471-A Hypoglycemic 5-(isoxazolyl or isothiazolyl)-oxazolidine-2,4-diones PFIZER INC. (US) 1989-03-14 US disclosed
US-4753956-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1988-06-28 US disclosed
US-4689336-A Hypoglycemic 5-substituted oxazolidine 2,4-diones PFIZER INC. (US) 1987-08-25 US disclosed
US-4565820-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-01-21 US disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 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 (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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 ERN1 757/4885KDM4E 2703/4885MAPT 4190/4885

“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.