SCHEMBL25890809

SCHEMBL25890809

CC1(C)C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccn2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.50
AR P10275 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.43
ENPP1 P22413 1/20 0.41

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
SCHEMBL29566305 0.91 PARP1 (0.49) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL24390020 0.90 PARP1 (0.51) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL25890293 0.90 PARP1 (0.49) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL25313203 0.90 PARP1 (0.49) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL29565633 0.90 PARP1 (0.51) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL29565753 0.86 PARP1 (0.45) PARP1ARTSHRCYP3A4CYP2C9
SCHEMBL30132749 0.82 PARP1 (0.70) PARP1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL25890319 0.82 PARP1 (0.70) PARP1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL25315687 0.82 PARP1 (0.45) PARP1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL25890832 0.82 PARP1 (0.41) PARP1ARTSHRCYP3A4CYP2C9

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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885AR 3446/4885TSHR 4201/4885

“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.