Sugi Predict

Sugi Predict / Compounds / SCHEMBL2819396

SCHEMBL2819396

SCHEMBL2819396

O=c1c(-c2ccc(C(F)(F)F)cc2)c(/C=C/c2cccc3c2OCO3)nc2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL2819398 1.00 MAOB (0.41) MAOBNPC1GAAALDH1A1L3MBTL1
SCHEMBL2821732 0.80 MAPT (0.38) MAOBGAAALDH1A1L3MBTL1MAPT
SCHEMBL2821737 0.80 MAPT (0.38) MAOBGAAALDH1A1L3MBTL1MAPT
SCHEMBL2823020 0.77 NTRK1 (0.39) NPC1GAAALDH1A1L3MBTL1NTRK1
SCHEMBL2823025 0.77 NTRK1 (0.39) NPC1GAAALDH1A1L3MBTL1NTRK1
SCHEMBL2817964 0.74 PADI4 (0.40) NPC1ALDH1A1L3MBTL1NTRK1HSD17B10
SCHEMBL2820864 0.74 NFE2L2 (0.40) MAOBNPC1ALDH1A1L3MBTL1MAPT
SCHEMBL13021083 0.74 NFE2L2 (0.41) MAOBNPC1ALDH1A1L3MBTL1MAPT
SCHEMBL13021106 0.74 NFE2L2 (0.39) MAOBNPC1L3MBTL1NPSR1
SCHEMBL13021090 0.73 NFE2L2 (0.41) MAOBNPC1ALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 2865/4885NPC1 1398/4885GAA 1868/4885

“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.