SCHEMBL2889395

SCHEMBL2889395

Fc1ccccc1-n1cc(I)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
KCNN4 O15554 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
RXRA P19793 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ADORA1 P30542 1/20 0.37
GRM1 Q13255 3/20 0.37
GRM5 P41594 2/20 0.37
BCHE P06276 1/20 0.37
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 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
SCHEMBL2688702 0.78 NOTUM (0.58) NOTUMKCNN4PTGS2PTGS1RXRA
SCHEMBL2885848 0.75 NOTUM (0.55) NOTUMKCNN4PTGS2PTGS1TRPV1
SCHEMBL16827738 0.75 P2RX7 (0.59) NOTUMKCNN4PTGS2PTGS1TRPV1
SCHEMBL14302898 0.74 NOTUM (0.71) NOTUMPTGS2PTGS1TRPV1RXRA
SCHEMBL29793818 0.74 NOTUM (1.00) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL16827748 0.74 NOTUM (1.00) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL19732304 0.74 NOTUM (0.54) NOTUMPTGS2PTGS1TRPV1HSP90AA1
SCHEMBL13145592 0.74 NOTUM (0.54) NOTUMKCNN4PTGS2PTGS1TRPV1
SCHEMBL2220827 0.73 NOTUM (0.56) NOTUMPTGS2PTGS1GRM1GRM5
SCHEMBL2889068 0.72 P2RX7 (0.55) NOTUMPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B NOTUM 3935/4885KCNN4 634/4885PTGS2 344/4885

“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.