SCHEMBL6285030

SCHEMBL6285030

CN1C[C@H](c2ccco2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADORA2B P29275 2/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL5835616 0.74 FADS1 (0.50)
SCHEMBL7364885 0.74 FADS1 (0.50)
SCHEMBL7364886 0.74 FADS1 (0.50)
SCHEMBL6363308 0.72 ALOX5 (0.33) SMN1; SMN2
SCHEMBL7277919 0.71 GRM2 (0.36) ALDH1A1CYP2C19CHRM2CHRM4CHRM5
SCHEMBL6284947 0.71 HSD17B2 (0.38) ALDH1A1NPC1CHRM2CHRM4CHRM5
SCHEMBL13394484 0.70 ALOX5 (0.38)
SCHEMBL15928322 0.69 HTR6 (0.52) ALDH1A1KMT2AGAA
SCHEMBL6284106 0.69 ALOX5 (0.33)
SCHEMBL23846740 0.68 FADS1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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 (4 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-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 ALDH1A1 1275/4885CYP2C19 1309/4885NPC1 2880/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 ALDH1A1 1363/4885CYP2C19 1149/4885NPC1 2194/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ALDH1A1 1593/4885CYP2C19 2468/4885NPC1 254/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 ALDH1A1 971/4885CYP2C19 3354/4885NPC1 1656/4885

“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.