SCHEMBL5456641

SCHEMBL5456641

CN1C(C)(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55

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
SCHEMBL5468053 0.86 PARP1 (0.53) PARP1
SCHEMBL5454668 0.85 PARP1 (0.55) PARP1
SCHEMBL5460433 0.81 PARP1 (0.57) PARP1
SCHEMBL5463373 0.75 PARP1 (0.64) PARP1
SCHEMBL5456374 0.74 PARP1 (0.52) PARP1
SCHEMBL6803959 0.74 PARP1 (0.65) PARP1
SCHEMBL5453704 0.73 PARP1 (0.56) PARP1
SCHEMBL6806325 0.72 PARP1 (0.62) PARP1
SCHEMBL5460989 0.72 PARP1 (0.69) PARP1
SCHEMBL458836 0.72 PARP1 (1.00) PARP1

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-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants CEDARS-SINAI MEDICAL CENTER (US) 2007-03-29 US claimed
US-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants CEDARS-SINAI MEDICAL CENTER (US) 2007-03-29 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-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants PARP1, PARP2, PARP11 PARP1 1/4885

“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.