SCHEMBL2909240

SCHEMBL2909240

NC(=O)c1[c]ccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.58
KDM4E B2RXH2 4/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL2369095 0.74 PARP1 (1.00) PARP1KDM4EHPGDMAPTGAA
SCHEMBL6259695 0.73 PARP1 (0.60) PARP1
SCHEMBL692971 0.71 MAPT (0.44) PARP1KDM4EHPGDMAPTGAA
SCHEMBL2364957 0.69 PTGES (0.46) PARP1
SCHEMBL2931909 0.68
SCHEMBL4926488 0.68 PIM1 (0.38) PARP1MAPTALDH1A1
SCHEMBL5235812 0.67 PIM1 (0.38) PARP1
SCHEMBL8597971 0.66 KDM4E (1.00) PARP1KDM4EHPGDMAPTGAA
SCHEMBL2370001 0.66 PARP1 (0.62) PARP1KDM4EHPGDHTT
SCHEMBL2370560 0.66 PARP1 (0.62) PARP1KDM4EHPGD

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
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 EP disclosed
US-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C ARROW THERAPEUTICS LIMITED (GB) 2008-10-16 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-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C NR4A1, NR0B1, NR1H4 PARP1 4252/4885KDM4E 4293/4885HPGD 1592/4885

“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.