SCHEMBL7699486

SCHEMBL7699486

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C2CC2)CC1

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.93
PARP3 Q9Y6F1 2/20 0.75
TNKS O95271 1/20 0.75
ADORA1 P30542 1/20 0.75
CDK6 Q00534 1/20 0.75
PDE3A Q14432 1/20 0.75
PARP6 Q2NL67 1/20 0.75
PARP15 Q460N3 1/20 0.75
PARP14 Q460N5 1/20 0.75
PARP10 Q53GL7 1/20 0.75
TIPARP Q7Z3E1 1/20 0.75
PARP8 Q8N3A8 1/20 0.75
PARP16 Q8N5Y8 1/20 0.75
PARP12 Q9H0J9 1/20 0.75
TNKS2 Q9H2K2 1/20 0.75
PARP11 Q9NR21 1/20 0.75
PARP2 Q9UGN5 1/20 0.75
PARP4 Q9UKK3 1/20 0.75

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
SCHEMBL29188784 0.96 PARP1 (0.87) PARP1PARP3TNKSADORA1CDK6
SCHEMBL30293115 0.91 PARP1 (0.89) PARP1PARP3
SCHEMBL16571964 0.90 PARP1 (0.80) PARP1PARP3TNKSADORA1CDK6
SCHEMBL16572023 0.90 PARP1 (0.79) PARP1PARP3TNKSADORA1CDK6
SCHEMBL30437572 0.90 PARP1 (0.79) PARP1PARP3TNKSADORA1CDK6
SCHEMBL16572021 0.90 PARP1 (0.79) PARP1PARP3TNKSADORA1CDK6
Hydrochloric Acid SCHEMBL16571929 0.90 PARP1 (0.79) PARP1PARP3TNKSADORA1CDK6
Hydrochloric Acid SCHEMBL30436434 0.90 PARP1 (0.79) PARP1PARP3TNKSADORA1CDK6
SCHEMBL19569971 0.89 PARP1 (0.90) PARP1PARP3TNKSADORA1CDK6
Hydrochloric Acid SCHEMBL16571681 0.89 PARP1 (0.78) PARP1PARP3TNKSADORA1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-05-09 US disclosed
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-05-09 US disclosed
WO-2011141909-A2 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2011-11-17 WO 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-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF PARP1, PARP2, PARP6 PARP1 1/4885PARP3 18/4885TNKS 11/4885

“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.