SCHEMBL3070972

SCHEMBL3070972

O=C(Oc1ccccc1Cl)C(C(=O)c1cccnc1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 2/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
AGTR1 P30556 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3066591 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPK1HTT
SCHEMBL3068551 0.83 KMT2A (0.43) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL3061547 0.83 POLB (0.46) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL3066675 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRKMT2ACYP2C19
SCHEMBL3069214 0.80 NPC1 (0.42) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL3068041 0.77 TSHR (0.49) ALDH1A1KDM4ELMNAMAPK1HTT
SCHEMBL6309136 0.74 TSHR (0.44) ALDH1A1KDM4EMAPK1TSHRKMT2A
SCHEMBL3071332 0.72 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL3074288 0.67 TSHR (0.50) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL3056684 0.67 KMT2A (0.46) ALDH1A1LMNAHTTTSHRKMT2A

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 ALDH1A1 99/4885KDM4E 1577/4885LMNA 3281/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885KDM4E 3692/4885LMNA 516/4885

“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.