SCHEMBL6408260

SCHEMBL6408260

O=c1[nH]c2ccc(CCCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 1.00
SIGMAR1 Q99720 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
TSHR P16473 1/20 0.52
DRD4 P21917 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL6407850 0.97 PARP1 (1.00) PARP1
SCHEMBL6405272 0.89 PARP1 (0.85) PARP1SIGMAR1
SCHEMBL6405735 0.89 PARP1 (0.85) PARP1SIGMAR1
SCHEMBL6406376 0.87 PARP1 (0.81) PARP1SIGMAR1HTR1A
SCHEMBL6410344 0.79 PARP1 (0.68) PARP1SIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL6404123 0.77 PARP1 (0.98) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL6409099 0.77 PARP1 (0.65) PARP1SIGMAR1MAPT
SCHEMBL6437727 0.76 PARP1 (0.66) PARP1CYP1A2CYP3A4HTR1AMAPT
SCHEMBL6367272 0.75 PARP1 (1.00) PARP1SIGMAR1
SCHEMBL6367194 0.74 PARP1 (0.98) PARP1SIGMAR1

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 1/4885SIGMAR1 1351/4885CYP1A2 1009/4885

“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.