SCHEMBL17338893

SCHEMBL17338893

N#Cc1ccc(C(=NN)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ GRIN2B Q13224 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
SCHEMBL17338892 1.00 PARP15 (0.43) PARP15PARP10PARP2GRIN2BALDH1A1
SCHEMBL17338765 0.87 GRIN2B (0.51) GRIN2BMAPTEPHX2
SCHEMBL13013670 0.82 CA2 (0.48) PARP15PARP10PARP2ALDH1A1MEN1
SCHEMBL201174 0.82 TRPA1 (0.53) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL17338824 0.80 EPHX2 (0.51) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL17338831 0.78 GRIN2B (0.44) GRIN2BALDH1A1MAPTHSD17B10EPHX2
SCHEMBL17338830 0.78 GRIN2B (0.44) GRIN2BALDH1A1MAPTHSD17B10EPHX2
SCHEMBL921865 0.77 TRPA1 (0.49) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL2803766 0.77 KIF11 (0.57) ALDH1A1MAPTTDP1MEN1TP53
SCHEMBL1230101 0.76 PARP10 (0.44) PARP10GRIN2BALDH1A1MEN1KMT2A

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
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 — — US disclosed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 — — US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 — — US disclosed
EP-3154941-A1 SMALL MOLECULE LFA-1 INHIBITORS AlloCyte Pharmaceuticals AG (CH) 2017-04-19 — — EP disclosed
WO-2015189265-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2015-12-17 — — 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 (3 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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 PARP15 1372/4885PARP10 1302/4885PARP2 2574/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 PARP15 1372/4885PARP10 1302/4885PARP2 2574/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 PARP15 1372/4885PARP10 1302/4885PARP2 2574/4885

“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.

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