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Sugi Predict / Compounds / SCHEMBL2820681

SCHEMBL2820681

SCHEMBL2820681

COc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2cc(F)cc(F)c2)c1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIK3CD O00329 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.34
▸ KCNK3 O14649 6/20 0.33
▸ KCNK9 Q9NPC2 6/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL2819041 0.91 LMNA (0.39) LMNASMN1; SMN2L3MBTL1NFE2L2ALDH1A1
SCHEMBL2819037 0.91 LMNA (0.39) LMNASMN1; SMN2L3MBTL1NFE2L2ALDH1A1
SCHEMBL2820040 0.89 KCNK3 (0.40) LMNASMN1; SMN2L3MBTL1NFE2L2KCNK3
SCHEMBL2825545 0.89 LMNA (0.38) LMNASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL2825547 0.89 LMNA (0.38) LMNASMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL2819997 0.88 SMN1; SMN2 (0.35) LMNASMN1; SMN2L3MBTL1NFE2L2KCNK3
SCHEMBL2820851 0.88 LMNA (0.36) LMNASMN1; SMN2L3MBTL1KCNK3KCNK9
SCHEMBL2820866 0.88 MAOB (0.37) LMNASMN1; SMN2L3MBTL1NFE2L2RELA
SCHEMBL2823839 0.88 MAOB (0.37) LMNASMN1; SMN2L3MBTL1NFE2L2RELA
SCHEMBL2820864 0.87 NFE2L2 (0.40) LMNASMN1; SMN2L3MBTL1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US claimed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US claimed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 — — 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 (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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 LMNA 2123/4885SMN1; SMN2 4045/4885L3MBTL1 4838/4885

“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.