SCHEMBL458166

SCHEMBL458166

C=C[C](O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.49
FAAH O00519 2/20 0.48
MAPT P10636 8/20 0.46
KDM4E B2RXH2 7/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CES1 P23141 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL23208040 0.82 MAPT (0.46) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL8032979 0.77 XDH (0.54) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL3277882 0.77 XDH (0.50) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL23207495 0.77 XDH (0.50) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL28082044 0.76 XDH (0.51) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL1590095 0.76 FAAH (0.55) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL12545534 0.75 XDH (0.50) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL17951858 0.75 FAAH (0.54) XDHFAAHMAPTKDM4ERAB9A
SCHEMBL250149 0.74 XDH (0.52) XDHFAAHMAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL23320558 0.74 FAAH (0.54) XDHFAAHMAPTKDM4ERAB9A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US claimed
CN-101987847-A Novel heterocyclic NF-kB inhibitors 4SC AG 2011-03-23 CN claimed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US claimed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US claimed
EP-1797084-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2007-06-20 EP claimed
WO-2006032322-A1 NOVEL HETEROCYCLIC NF-κB INHIBITORS 4SC AG (DE) 2006-03-30 WO claimed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 US claimed
CN-101987847-B Novel heterocyclic NF-kB inhibitors 4SC AG 2012-10-10 CN disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed
CN-101987847-A Novel heterocyclic NF-kB inhibitors 4SC AG 2011-03-23 CN disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
EP-1912982-A2 NOVEL HETEROCYCLIC NF- B INHIBITORS 4SC AG (DE) 2008-04-23 EP disclosed
WO-2007104557-A2 NOVEL HETEROCYCLIC NF-KB INHIBITORS 4SC AG (DE) 2007-09-20 WO disclosed
EP-1797084-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2007-06-20 EP disclosed
WO-2007016979-A2 NOVEL HETEROCYCLIC NF-κB INHIBITORS 4SC AG (DE) 2007-02-15 WO disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
WO-2006032322-A1 NOVEL HETEROCYCLIC NF-κB INHIBITORS 4SC AG (DE) 2006-03-30 WO disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 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 (5 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-20110052532-A1 Pharmaceutical composition comprising a cytokine IL2, IL17A, IFNG XDH 2113/4885FAAH 1248/4885MAPT 2853/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 XDH 2985/4885FAAH 1424/4885MAPT 4665/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB XDH 2843/4885FAAH 2167/4885MAPT 4818/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB XDH 2623/4885FAAH 2191/4885MAPT 4540/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB XDH 3092/4885FAAH 2181/4885MAPT 4592/4885

“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.