SCHEMBL6281279

SCHEMBL6281279

[CH2]N(C)CC(O)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NCF1 P14598 3/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 2/20 0.39
CYP1A2 P05177 2/20 0.39
AOC3 Q16853 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 1/20 0.37
GAA P10253 1/20 0.36
PTK2 Q05397 1/20 0.36
ALOX5 P09917 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL6281283 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL6848182 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL31376529 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL1848409 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL11303209 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL5336216 0.75 ALDH1A1 (0.57) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL5974672 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL4064465 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL1261383 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10NCF1LMNATP53
SCHEMBL9295337 0.73 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 ALDH1A1 1363/4885HSD17B10 3120/4885NCF1 1621/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ALDH1A1 1593/4885HSD17B10 2511/4885NCF1 1613/4885

“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.