SCHEMBL3024115

SCHEMBL3024115

NC(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.67
PARP15 Q460N3 2/20 0.52
PARP14 Q460N5 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
OPRK1 P41145 6/20 0.50
OPRM1 P35372 5/20 0.50
OPRD1 P41143 5/20 0.50
CHEK2 O96017 1/20 0.49
SCN4A P35499 1/20 0.49
MAOB P27338 1/20 0.49
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
HSPB1 P04792 1/20 0.48
MET P08581 1/20 0.47
AXL P30530 1/20 0.47

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
SCHEMBL27245278 0.89 PARP10 (0.62) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL21628730 0.88 PARP10 (0.59) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL26214383 0.88 PARP10 (0.63) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL3643463 0.87 PARP10 (0.67) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL30289581 0.87 PARP10 (0.67) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL30816841 0.85 LMNA (0.60) PARP10CHEK2HSPB1METAXL
SCHEMBL21274603 0.85 LMNA (0.60) PARP10CHEK2HSPB1METAXL
SCHEMBL21628754 0.85 PARP10 (0.56) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL20187319 0.85 PARP10 (0.56) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL2555412 0.85 PARP10 (0.65) PARP10PARP15PARP14ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO 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 (2 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 PARP10 3132/4885PARP15 3852/4885PARP14 4065/4885
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A PARP10 3946/4885PARP15 4202/4885PARP14 4249/4885

“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.