SCHEMBL352877

SCHEMBL352877

NC(=O)c1cccc2c(-c3cccc(C(F)(F)F)c3)c(-c3ccc4c(C(N)=O)cccc4c3-c3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
RORB Q92753 4/20 0.45
RORC P51449 3/20 0.45
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CNR2 P34972 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
RPS6KB1 P23443 3/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
SLC9A1 P19634 1/20 0.41
JAK2 O60674 1/20 0.41
MAPT P10636 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4724483 0.83 PARP1 (0.59) PARP1RORBRORCKIF11KDM4E
SCHEMBL353488 0.80 BCAT2 (0.53) PARP1KDM4EMAPT
SCHEMBL5694476 0.78 PARP1 (0.54) PARP1RORBRORCKIF11KDM4E
SCHEMBL30272163 0.77 RORB (0.66) PARP1RORBRORCKIF11KDM4E
SCHEMBL4683411 0.77 RORB (0.66) PARP1RORBRORCKIF11KDM4E
SCHEMBL28202997 0.74 RORB (0.57) PARP1RORBRORCKIF11KDM4E
SCHEMBL5964891 0.74 PARP1 (0.56) PARP1RORBRORCKIF11KDM4E
SCHEMBL5074291 0.73 PARP1 (0.60) PARP1RORBRORCKIF11KDM4E
SCHEMBL3455274 0.72 PLG (0.54) PARP1KIF11KDM4ECNR2JAK2
SCHEMBL8337607 0.71 KIF11 (0.57) PARP1KIF11KDM4ECNR2MAPT

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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 PARP1 2623/4885RORB 1710/4885RORC 1893/4885

“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.