SCHEMBL6410344

SCHEMBL6410344

O=c1[nH]c2ccc(CCCN3CC=C(c4ccc(F)cc4)CC3)cc2c2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.68
KCNH2 Q12809 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
HTR6 P50406 3/20 0.49
DRD2 P14416 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL6409099 0.91 PARP1 (0.65) PARP1KCNH2PARP2HTR6SIGMAR1
SCHEMBL6405735 0.89 PARP1 (0.85) PARP1KCNH2PARP2SIGMAR1
SCHEMBL6405272 0.87 PARP1 (0.85) PARP1KCNH2PARP2SIGMAR1
SCHEMBL6407850 0.81 PARP1 (1.00) PARP1
SCHEMBL6408260 0.79 PARP1 (1.00) PARP1DRD2SIGMAR1HTR1A
SCHEMBL6406376 0.78 PARP1 (0.81) PARP1SIGMAR1HTR1A
SCHEMBL23302831 0.75 PARP1 (0.58) PARP1KCNH2PARP2DRD2SIGMAR1
SCHEMBL29882436 0.75 PARP1 (0.58) PARP1KCNH2PARP2DRD2SIGMAR1
Hydrochloric Acid SCHEMBL6403678 0.73 PARP1 (0.55) PARP1KCNH2PARP2HTR6SIGMAR1
SCHEMBL6619881 0.73 DRD2 (0.52) PARP1KCNH2PARP2HTR6DRD2

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 3 patents. 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
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 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-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.