SCHEMBL6742444

SCHEMBL6742444

O=c1oc(=O)n(CCC2CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
CYP1A2 P05177 1/20 0.39
PARG Q86W56 1/20 0.38

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
SCHEMBL6258625 0.82 MAPT (0.45) MAPTPOLBATMMEN1LMNA
SCHEMBL3924246 0.80 NR1I2 (0.43)
SCHEMBL6732577 0.80 MAPT (0.45) MAPTPOLBATMMEN1LMNA
SCHEMBL5309142 0.77 HPGD (0.44) POLBLMNA
SCHEMBL10342776 0.75 MAPT (0.57) MAPTPOLBATMMEN1LMNA
SCHEMBL29811344 0.75 MAPT (0.57) MAPTPOLBATMMEN1LMNA
SCHEMBL19086567 0.73 SIGMAR1 (0.36) ACHEMAPTLMNAKMT2ASIGMAR1
SCHEMBL11859025 0.71 IRAK4 (0.39) ACHEMAPTPOLBATMMEN1
SCHEMBL17434366 0.70 PDE5A (0.51) MAPTPOLBATMMEN1LMNA
SCHEMBL26925116 0.69 MEN1 (0.60) MAPTPOLBMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ACHE 1450/4885MAPT 4204/4885POLB 1319/4885

“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.