SCHEMBL5451455

SCHEMBL5451455

CC1(C)NC(C)(C)C(c2nc3c(C(N)=O)cccc3[nH]2)=C1c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.74
DHODH Q02127 1/20 0.51

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
SCHEMBL5460989 0.85 PARP1 (0.69) PARP1DHODH
SCHEMBL7317874 0.85 PARP1 (1.00) PARP1DHODH
SCHEMBL5453704 0.78 PARP1 (0.56) PARP1DHODH
SCHEMBL7318483 0.76 PARP1 (1.00) PARP1DHODH
SCHEMBL1891860 0.75 PARP1 (0.80) PARP1DHODH
SCHEMBL8624640 0.74 PARP1 (0.73) PARP1DHODH
SCHEMBL458836 0.71 PARP1 (1.00) PARP1DHODH
SCHEMBL29412034 0.71 PARP1 (1.00) PARP1DHODH
SCHEMBL29412005 0.70 PARP1 (0.74) PARP1DHODH
SCHEMBL5467831 0.70 PARP1 (0.54) 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 1/4885DHODH 1677/4885

“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.