SCHEMBL3608978

SCHEMBL3608978

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2cc(O)ccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 17/20 0.44
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3607633 0.89 XIAP (0.53) XIAPMEN1KMT2ATDP1
SCHEMBL3596631 0.81 SOAT1 (0.44) XIAP
SCHEMBL3601025 0.79 XIAP (0.39) XIAPMEN1KMT2ATDP1
SCHEMBL3609812 0.76 XIAP (0.55) XIAP
SCHEMBL3608616 0.76 RORC (0.39) XIAP
SCHEMBL3611817 0.76 GHSR (0.44) XIAP
SCHEMBL3612495 0.75 XIAP (0.50) XIAPMEN1KMT2A
Hydrochloric Acid SCHEMBL3613026 0.75 RORC (0.38) XIAP
SCHEMBL3612823 0.74 XIAP (0.44) XIAP
SCHEMBL3612848 0.74 XIAP (0.47) XIAPMEN1KMT2A

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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 XIAP 333/4885ESR1 554/4885ESR2 1000/4885

“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.