SCHEMBL3074288

SCHEMBL3074288

O=C(Oc1c(Cl)cccc1Cl)C(c1cccs1)C(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNA5 P22460 3/20 0.36
LMNA P02545 5/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HTT P42858 3/20 0.34
HSP90AA1 P07900 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KEAP1 Q14145 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.32
PTBP1 P26599 1/20 0.32
KLF5 Q13887 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
SCHEMBL3068041 0.88 TSHR (0.49) TSHRALDH1A1KDM4EKCNA5LMNA
SCHEMBL3076914 0.85 TSHR (0.50) TSHRALDH1A1KDM4ELMNATP53
SCHEMBL3072339 0.84 TSHR (0.47) TSHRALDH1A1KDM4EKCNA5NPSR1
SCHEMBL3074125 0.84 SMN1; SMN2 (0.43) ALDH1A1KDM4EKCNA5LMNASMN1; SMN2
SCHEMBL3075124 0.80 TSHR (0.49) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL3066591 0.78 ALDH1A1 (0.47) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL3074237 0.72 SMN1; SMN2 (0.43) ALDH1A1KDM4EKCNA5LMNAMAPT
SCHEMBL3081201 0.72 TSHR (0.46) TSHRLMNATP53SMN1; SMN2KMT2A
SCHEMBL13093728 0.72 FFAR1 (0.43) TSHRALDH1A1KCNA5GAAL3MBTL1
SCHEMBL13093725 0.72 FFAR1 (0.43) TSHRALDH1A1KCNA5GAAL3MBTL1

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 7 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
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 TSHR 907/4885ALDH1A1 99/4885KDM4E 1577/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TSHR 364/4885ALDH1A1 764/4885KDM4E 3692/4885

“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.