SCHEMBL443532

SCHEMBL443532

CCOC(=O)c1cn(-c2cccc(F)c2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.52
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16691194 0.89 DGAT1 (0.55) DGAT1NPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL4298281 0.89 DGAT1 (0.66) DGAT1NPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL408173 0.88 NPC1 (0.45) DGAT1NPC1MAPK1NPSR1RAB9A
SCHEMBL4486967 0.88 DGAT1 (0.52) DGAT1NPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL408172 0.87 NPSR1 (0.60) DGAT1NPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL408901 0.86 NPC1 (0.60) DGAT1NPC1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4299394 0.82 DGAT1 (0.61) DGAT1NPC1ALDH1A1MAPK1NPSR1
SCHEMBL408724 0.82 DGAT1 (0.46) DGAT1NPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4300650 0.81 NPSR1 (0.59) DGAT1NPC1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL24303811 0.80 CA12 (0.56) DGAT1NPC1ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885NPC1 142/4885ALDH1A1 272/4885

“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.