SCHEMBL4026329

SCHEMBL4026329

COC(=O)c1nc(-c2sccc2[N+](=O)[O-])n(C)c(=O)c1OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
LMNA P02545 1/20 0.34
USP10 Q14694 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PARP14 Q460N5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
PLK1 P53350 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4026719 0.88 ALDH1A1 (0.34) ALDH1A1SLC10A6LMNAUSP10NPC1
SCHEMBL4028108 0.87 ALDH1A1 (0.35) ALDH1A1SLC10A6LMNAUSP10NPC1
SCHEMBL4032112 0.85 ALDH1A1 (0.34) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4028581 0.84 ERCC1 (0.44) ALDH1A1SLC10A6LMNAUSP10NPC1
SCHEMBL4030445 0.83 ALDH1A1 (0.33) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4026532 0.78 ERCC1 (0.33) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL4027437 0.76 FEN1 (0.57) LMNAMAPTRXFP1NPSR1ERCC1
SCHEMBL4028095 0.73 GABRP (0.32) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4029058 0.72 ERCC1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4031833 0.71 ELANE (0.31) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ALDH1A1 255/4885SLC10A6 3803/4885LMNA 4025/4885

“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.