SCHEMBL6411435

SCHEMBL6411435

O=c1[nH]c2ccc(OCCN3CC=C(c4ccc(Cl)cc4)CC3)cc2c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.54
PPARG P37231 8/20 0.51
PPARA Q07869 8/20 0.51
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL6404979 0.91 PARP1 (0.56) PARP1PPARGPPARASIGMAR1
Hydrochloric Acid SCHEMBL6403678 0.79 PARP1 (0.55) PARP1SIGMAR1
SCHEMBL6406366 0.77 PARP1 (0.62) PARP1
SCHEMBL6406361 0.74 PARP1 (0.59) PARP1
SCHEMBL6405272 0.70 PARP1 (0.85) PARP1SIGMAR1
SCHEMBL2366274 0.70 PARP1 (1.00) PARP1
Hydrochloric Acid SCHEMBL2366728 0.69 PARP1 (0.98) PARP1
SCHEMBL6405080 0.69 PARP1 (0.56) PARP1
SCHEMBL6406134 0.69 PARP1 (0.42) PARP1
SCHEMBL11341093 0.68 MAOB (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 PARP1 1/4885PPARG 3980/4885PPARA 3832/4885

“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.