SCHEMBL3071332

SCHEMBL3071332

O=C(Oc1c(Cl)cccc1Cl)C(C(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 5/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KCNK3 O14649 1/20 0.41

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
SCHEMBL3061547 0.89 POLB (0.46) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL3056684 0.84 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2EPHX2CYP2C9
SCHEMBL3078379 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3066591 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL3069102 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHTTNPC1RAB9A
SCHEMBL3062323 0.79 KMT2A (0.60) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3074125 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL3080052 0.76 KMT2A (0.50) ALDH1A1HTTCYP2C9CYP2C19LMNA
SCHEMBL5362137 0.76 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2EPHX2CYP2C9
SCHEMBL3070972 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHTTHPGDSMN1; SMN2

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 ALDH1A1 99/4885KDM4E 1577/4885HTT 1369/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885KDM4E 3692/4885HTT 1042/4885

“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.