SCHEMBL3074237

SCHEMBL3074237

O=C(Oc1ccccc1Cl)C(c1ccccc1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NOTUM Q6P988 1/20 0.42
KCNA5 P22460 5/20 0.41
MAPK1 P28482 1/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TBXAS1 P24557 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL3074125 0.88 SMN1; SMN2 (0.43) SMN1; SMN2SLC6A2SLC6A4SLC6A3KCNA5
SCHEMBL3068041 0.85 TSHR (0.49) SMN1; SMN2SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL3071313 0.82 CYP19A1 (0.44) SMN1; SMN2SLC6A2SLC6A4SLC6A3KCNA5
SCHEMBL3075817 0.80 ALOX15 (0.48) SMN1; SMN2SLC6A2SLC6A4SLC6A3NOTUM
SCHEMBL3068944 0.79 RAB9A (0.45) SMN1; SMN2SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL3067391 0.78 KMT2A (0.51) SMN1; SMN2RAB9AKCNA5ALDH1A1KDM4E
SCHEMBL3061547 0.77 POLB (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6505819 0.76 SMN1; SMN2 (0.58) SMN1; SMN2SLC6A2SLC6A4SLC6A3KCNA5
SCHEMBL3103624 0.76 SLC6A2 (0.43) SMN1; SMN2SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL3079297 0.72 KCNA5 (0.46) KCNA5LMNATBXAS1MAPT

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-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (2 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR SMN1; SMN2 2798/4885SLC6A2 3345/4885SLC6A4 3259/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 SMN1; SMN2 3685/4885SLC6A2 3142/4885SLC6A4 3479/4885

“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.