SCHEMBL3457802

SCHEMBL3457802

O=C(NCc1ncc(Cl)cc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
ALDH2 P05091 5/20 0.46
P2RX7 Q99572 5/20 0.45
TSHR P16473 1/20 0.42
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
GAA P10253 1/20 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
SCHEMBL10140121 0.86 POLB (0.52) POLBHPGDALDH1A1ALDH2P2RX7
SCHEMBL6888143 0.86 POLB (0.46) POLBHPGDALDH1A1P2RX7JAK2
SCHEMBL6030405 0.85 P2RX7 (0.43) POLBHPGDALDH1A1P2RX7TSHR
SCHEMBL3457151 0.84 P2RX7 (0.41) POLBHPGDP2RX7TSHR
SCHEMBL15788682 0.84 POLB (0.50) POLBHPGDALDH1A1ALDH2P2RX7
SCHEMBL15286566 0.83 KMT2A (0.61) POLBALDH1A1P2RX7
SCHEMBL29356683 0.83 KMT2A (0.61) POLBALDH1A1P2RX7
SCHEMBL21950 0.83 KMT2A (0.61) POLBALDH1A1P2RX7
SCHEMBL18197098 0.79 MEN1 (0.48) POLBHPGDALDH1A1ALDH2P2RX7
SCHEMBL6029625 0.78 KMT2A (0.43) POLBHPGDALDH1A1P2RX7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484970-B1 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES DU PONT (US) 2013-06-26 EP claimed
EP-2260704-B1 Fungicidal compositions comprising a benzamide and cymoxanil DU PONT (US) 2013-10-16 EP disclosed
EP-1484970-B1 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES DU PONT (US) 2013-06-26 EP disclosed
EP-2260705-A2 Fungicidal compositions comprising a benzamide and a michondrial respiration inhibitor E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260703-A2 Fungicidal compositions comprising a benzamide and fosetyl-aluminium E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260704-A2 Fungicidal compositions comprising a benzamide and cymoxanil E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2258190-A2 Fungicidal compositions comprising a benzamide and a phthalimide E. I. du Pont de Nemours and Company (US) 2010-12-08 EP disclosed
EP-1056723-B1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE LTD (GB) 2007-11-28 EP disclosed
US-20050164999-A1 Benzamides and compositions benzamides for use as fungicizide E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-28 US disclosed
EP-1484970-A2 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP disclosed
US-6828441-B2 Agriculture AVENTIS CROPSCIENCE UK LIMITED (GB) 2004-12-07 US disclosed
WO-2003079788-A2 BENZAMIDES AND COMPOSITIONS BENZAMIDES FOR USE AS FUNGIZIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO disclosed
US-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides AVENTIS CROPSCIENCE UK LIMITED 2003-09-11 US disclosed
US-6503933-B1 Combating phytopathogenic fungi AVENTIS CROPSCIENCE UK LIMITED (GB) 2003-01-07 US disclosed
EP-1056723-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES Aventis CropScience UK Limited (GB) 2000-12-06 EP disclosed
WO-1999042447-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES AVENTIS CROPSCIENCE UK LIMITED (GB) 1999-08-26 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 (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-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides PNPO, ME1, CYP2S1 POLB 4038/4885HPGD 2280/4885ALDH1A1 1091/4885
US-20050164999-A1 Benzamides and compositions benzamides for use as fungicizide CYC1, ME3, ME2 POLB 1571/4885HPGD 2181/4885ALDH1A1 2079/4885

“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.