SCHEMBL13787604

SCHEMBL13787604

CCCCN[C@@H]1CN(c2nc3cccc(C(=O)O)c3s2)CCC1NC(=O)c1nc(C)c(CC)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.33

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
SCHEMBL2843012 0.93 ABCC2 (0.33) PARP1
SCHEMBL2849020 0.93 ABCC2 (0.33) PARP1
SCHEMBL13001881 0.93 ABCC2 (0.33) PARP1
SCHEMBL2843017 0.93 ABCC2 (0.33) PARP1
SCHEMBL2850800 0.91 ABCC2 (0.33) PARP1
SCHEMBL2850805 0.91 ABCC2 (0.33) PARP1
SCHEMBL13787612 0.91
SCHEMBL2853121 0.90 ABCC2 (0.33) PARP1
SCHEMBL2853124 0.90 ABCC2 (0.33) PARP1
SCHEMBL2853573 0.88 PARP1 (0.35) 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-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
WO-2009084614-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-09 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-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PARP1 2308/4885

“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.