SCHEMBL7704600

SCHEMBL7704600

O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
KCNH2 Q12809 1/20 0.74
PARP2 Q9UGN5 1/20 0.74

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
SCHEMBL6378266 0.93 PARP1 (1.00) PARP1
Hydrochloric Acid SCHEMBL6790211 0.92 PARP1 (0.98) PARP1
SCHEMBL6791769 0.90 PARP1 (1.00) PARP1
SCHEMBL6796664 0.89 PARP1 (0.84) PARP1
SCHEMBL6374166 0.86 PARP1 (0.75) PARP1KCNH2PARP2
SCHEMBL30249471 0.85 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL6797445 0.85 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL4316464 0.85 PARP1 (1.00) PARP1KCNH2PARP2
SCHEMBL29903051 0.81 PARP1 (1.00) PARP1PARP2
SCHEMBL20339795 0.81 PARP1 (1.00) PARP1PARP2

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 1/4885KCNH2 4841/4885PARP2 2/4885

“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.