SCHEMBL3915880

SCHEMBL3915880

C[C@]1(c2nc3ccccc3[nH]2)CCC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 6/20 0.40
PLAUR Q03405 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ABCB11 O95342 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6755331 0.75 ALDH1A1 (0.48) PARP1ALDH1A1CYP1A2CYP2D6KDM4E
SCHEMBL665634 0.74 PARP1 (0.56) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL663755 0.74 PARP1 (0.56) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL663872 0.74 PARP1 (0.56) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL664237 0.72 PARP1 (0.57) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6753927 0.72 BCHE (0.46) PARP1ALDH1A1KDM4EMEN1HPGD
SCHEMBL7573004 0.71 KDM4E (0.40) ALDH1A1CYP1A2KDM4EPLAURMEN1
SCHEMBL18150842 0.71 MEN1 (0.44) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1299519 0.70 PARP1 (0.54) PARP1ALDH1A1KDM4EMEN1HPGD
SCHEMBL19399631 0.68 PARP1 (0.51) PARP1ALDH1A1KDM4EPLAURMEN1

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-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885ALDH1A1 332/4885CYP1A2 1188/4885

“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.