SCHEMBL6404979

SCHEMBL6404979

O=c1[nH]c2ccc(OCCN3CC=C(c4ccccc4)CC3)cc2c2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.56
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 1/20 0.46
KDR P35968 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL6411435 0.91 PARP1 (0.54) PARP1PPARGPPARASIGMAR1
Hydrochloric Acid SCHEMBL6406238 0.75 PARP1 (0.76) PARP1HTR1A
SCHEMBL6556334 0.75 PARP1 (0.45) PARP1
SCHEMBL6406361 0.73 PARP1 (0.59) PARP1
SCHEMBL2366274 0.71 PARP1 (1.00) PARP1KDR
SCHEMBL10517607 0.71 DRD2 (0.66) PPARGPPARASIGMAR1
SCHEMBL6407850 0.71 PARP1 (1.00) PARP1
Hydrochloric Acid SCHEMBL2366728 0.71 PARP1 (0.98) PARP1KDR
SCHEMBL6408260 0.70 PARP1 (1.00) PARP1SIGMAR1HTR1A
SCHEMBL10747283 0.70 HTR1D (0.54) HTR1AKDR

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.