SCHEMBL8404563

SCHEMBL8404563

COC(=O)C1CC2CC(CCN1c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
ACHE P22303 1/20 0.38
ENPP2 Q13822 1/20 0.38
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
SCHEMBL8084718 0.84 SMN1; SMN2 (0.46) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7968279 0.81 GAA (0.43) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL2102798 0.81 GAA (0.43) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL696232 0.81 GAA (0.43) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL7985048 0.81 GAA (0.43) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL10120229 0.79 ITGB2 (0.48) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL10120707 0.76 MAPT (0.41) MAPTALDH1A1LMNAKMT2AENPP2
SCHEMBL14144882 0.76 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL31013539 0.75 PRKCQ (0.45) MAPTALDH1A1LMNAENPP2
SCHEMBL28974721 0.75 PRKCQ (0.45) MAPTALDH1A1LMNAENPP2

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
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 MAPT 3017/4885ALDH1A1 1358/4885LMNA 688/4885

“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.