SCHEMBL6258625

SCHEMBL6258625

CC(C)(C)CCn1c(=O)oc(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.42
IDO1 P14902 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
F2RL3 Q96RI0 2/20 0.37
F2R P25116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6732577 0.83 MAPT (0.45) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6742444 0.82 ACHE (0.43) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6687244 0.80 PARK7 (0.42)
SCHEMBL10342776 0.79 MAPT (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL29811344 0.79 MAPT (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6232603 0.76 ALDH1A1 (0.43) LMNAPOLBSMN1; SMN2NPSR1
SCHEMBL26925116 0.73 MEN1 (0.60) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL13508679 0.71 MAPT (0.47) MAPTMEN1KMT2ACYP1A2IDO1
SCHEMBL1128298 0.69 MAPT (0.70) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL30013273 0.68 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
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 MAPT 4204/4885MEN1 4821/4885KMT2A 4733/4885

“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.