SCHEMBL3022362

SCHEMBL3022362

NC(=O)c1ccc(Oc2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 1.00
PARP15 Q460N3 4/20 0.60
PARP14 Q460N5 3/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
PARP16 Q8N5Y8 1/20 0.60
PARP11 Q9NR21 1/20 0.60
PARP4 Q9UKK3 1/20 0.60
MAOB P27338 1/20 0.56
LPAR1 Q92633 5/20 0.53
LPAR5 Q9H1C0 5/20 0.53
FEN1 P39748 1/20 0.52
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
CTNNB1 P35222 1/20 0.50
PARP3 Q9Y6F1 1/20 0.49

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
SCHEMBL30289632 1.00 PARP10 (1.00) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL11498069 0.87 PARP10 (0.77) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL3133651 0.84 PARP10 (0.73) PARP10LPAR1LPAR5
SCHEMBL24209423 0.83 PARP10 (0.70) PARP10LPAR1LPAR5FEN1
SCHEMBL9762139 0.83 PARP10 (0.71) PARP10LPAR1LPAR5
SCHEMBL9762806 0.83 PARP10 (0.71) PARP10MAOBLPAR1LPAR5
SCHEMBL27803784 0.82 PARP10 (0.69) PARP10PARP15PARP14TNKSTNKS2
SCHEMBL6293051 0.81 PARP10 (0.66) PARP10ALDH1A1KMT2ALPAR1LPAR5
SCHEMBL23463916 0.81 ALDH1A1 (0.68) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL6630817 0.81 PARP10 (0.68) 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.