SCHEMBL8084718

SCHEMBL8084718

COC(=O)C1CCCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
CSF1R P07333 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL15522549 0.87 KMT2A (0.55) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL8404563 0.84 MAPT (0.42) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL2482873 0.82 HPGD (0.56) SMN1; SMN2MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL28493144 0.82 AR (0.55) SMN1; SMN2MAPT
SCHEMBL7913532 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL10120229 0.82 ITGB2 (0.48) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL19732136 0.81 MAPT (0.53) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL696233 0.81 MAPT (0.51) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL7978483 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL7981185 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1LMNAKMT2A

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 SMN1; SMN2 456/4885MAPT 3017/4885ALDH1A1 1358/4885

“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.