SCHEMBL6406366

SCHEMBL6406366

O=c1[nH]c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2c2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.62
KCNH2 Q12809 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
TNK1 Q13470 3/20 0.47
TNK2 Q07912 2/20 0.47
HTR6 P50406 1/20 0.44

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
Hydrochloric Acid SCHEMBL6403678 0.89 PARP1 (0.55) PARP1KCNH2PARP2HTR6
Hydrochloric Acid SCHEMBL6406238 0.89 PARP1 (0.76) PARP1KCNH2PARP2DRD2DRD4
Hydrochloric Acid SCHEMBL6403697 0.85 PARP1 (0.83) PARP1KCNH2PARP2DRD2DRD4
SCHEMBL6405080 0.85 PARP1 (0.56) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL6406134 0.82 PARP1 (0.42) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL25821683 0.81 PARP1 (0.69) PARP1KCNH2PARP2TNK1
SCHEMBL6405680 0.80 PARP1 (0.64) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL6556204 0.78 PARP1 (0.53) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL6411435 0.77 PARP1 (0.54) PARP1
Hydrochloric Acid SCHEMBL6404123 0.76 PARP1 (0.98) PARP1KCNH2PARP2DRD2DRD4

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 1/4885KCNH2 2357/4885PARP2 3/4885

“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.