SCHEMBL5106559

SCHEMBL5106559

O=C(NC(CO)CO)c1cnccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.48
▸ TGFBR1 P36897 3/20 0.44
▸ ACVR1B P36896 2/20 0.44
▸ ACVRL1 P37023 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ RPS6KA5 O75582 2/20 0.40
▸ RPS6KA4 O75676 2/20 0.40
▸ PRKACA P17612 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ PRKG1 Q13976 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ KLRK1 P26718 7/20 0.40
▸ MICA Q29983 7/20 0.40

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
SCHEMBL6781343 0.92 POLB (0.49) NPC1POLBALDH1A1TGFBR1ACVR1B
SCHEMBL4394775 0.82 NPC1 (0.56) NPC1POLBALDH1A1MAPTKLRK1
SCHEMBL3762834 0.81 ALDH1A1 (0.60) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL6776473 0.80 NPC1 (0.59) NPC1POLBALDH1A1MAPTDGAT2
SCHEMBL15244373 0.80 NPC1 (0.62) NPC1POLBALDH1A1MAPTROCK2
SCHEMBL6781346 0.79 NPC1 (0.49) NPC1POLBALDH1A1MAPTMAPK1
SCHEMBL31446908 0.79 NPC1 (0.49) NPC1POLBALDH1A1MAPTKLRK1
SCHEMBL6081356 0.79 NPC1 (0.61) NPC1POLBALDH1A1MAPTROCK2
SCHEMBL21620525 0.78 SIRT3 (0.51) TGFBR1ACVR1BACVRL1ROCK2RPS6KA5
SCHEMBL29100719 0.78 NPC1 (0.57) NPC1POLBALDH1A1MAPTDGAT2

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
CN-100408574-C Nicotinic acid-heterocyclyl-amides and analogous pyrimidine derivatives serving as pesticides BAYER CROPSCIENCE GMBH (DE) 2008-08-06 — — CN disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 — — US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 — — US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 — — US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 — — EP disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 — — EP disclosed
EP-1434485-A1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES SERVING AS PESTICIDES Bayer CropScience GmbH (DE) 2004-07-07 — — EP disclosed
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED 2004-01-08 — — US disclosed
WO-2003028459-A1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES SERVING AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-04-10 — — 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-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use CBR1, HCN1, SCN1A NPC1 782/4885POLB 4168/4885ALDH1A1 1221/4885

“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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