SCHEMBL6518971

SCHEMBL6518971

CC(C)(C)[Si](C)(C)OCc1cc(F)cc2nn(-c3ccc(C4CCCN(C(=O)O)C4)cc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 2/20 0.36
CTNNB1 P35222 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PROKR1 Q8TCW9 9/20 0.35
NAMPT P43490 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL3435942 0.87 ALDH1A1 (0.35) BCL9CTNNB1ALDH1A1LMNATDP1
SCHEMBL6522421 0.86 CNR2 (0.37) ALDH1A1
SCHEMBL3410172 0.84 PROKR1 (0.38) ALDH1A1LMNATDP1PROKR1NPC1
SCHEMBL6524057 0.73 AR (0.34)
SCHEMBL6519249 0.73 PDE4B (0.42) ALDH1A1LMNASCN9A
SCHEMBL3435244 0.69 PDE4B (0.39) BCL9CTNNB1ALDH1A1PROKR1NAMPT
SCHEMBL4099888 0.66 RAB9A (0.57) ALDH1A1LMNAPROKR1NPC1RAB9A
SCHEMBL30522321 0.63 PARP1 (0.54)
SCHEMBL1422381 0.62 PARP1 (0.49) BCL9CTNNB1
SCHEMBL16423440 0.62 SCD (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 BCL9 1909/4885CTNNB1 875/4885ALDH1A1 305/4885

“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.