SCHEMBL2820866

SCHEMBL2820866

COc1cccc(C=Cc2nc3ccccn3c(=O)c2-c2cccc(C(F)(F)F)c2)c1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
NPC1 O15118 2/20 0.37
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 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
SCHEMBL2823839 1.00 MAOB (0.37) MAOBNPC1NFE2L2SMN1; SMN2LMNA
SCHEMBL2820864 0.92 NFE2L2 (0.40) MAOBNPC1NFE2L2SMN1; SMN2LMNA
SCHEMBL2819041 0.90 LMNA (0.39) NPC1NFE2L2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2819037 0.90 LMNA (0.39) NPC1NFE2L2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2820040 0.89 KCNK3 (0.40) NPC1NFE2L2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2820851 0.88 LMNA (0.36) NPC1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL2820681 0.88 LMNA (0.37) NPC1NFE2L2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2820136 0.86 CXCR3 (0.37) SMN1; SMN2LMNAL3MBTL1THRBMAPT
SCHEMBL2825547 0.86 LMNA (0.38) NPC1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL2825545 0.86 LMNA (0.38) NPC1SMN1; SMN2LMNAL3MBTL1MAPT

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 4 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US 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 MAOB 2865/4885NPC1 1398/4885NFE2L2 1447/4885

“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.