SCHEMBL3684848

SCHEMBL3684848

O=C(O)Cn1nc(Cl)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.57
GAA P10253 2/20 0.57
TP53 P04637 1/20 0.54
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.40
KMO O15229 1/20 0.40
NLRP3 Q96P20 1/20 0.36
MARS1 P56192 1/20 0.33

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
SCHEMBL16519490 0.82 KMT2A (0.61) KMT2ATSHRGAATP53ALDH1A1
SCHEMBL3687891 0.67 KMT2A (0.62) KMT2ATSHRGAAALDH1A1ALOX15
SCHEMBL11217089 0.67 ALDH1A1 (0.47) KMT2ATSHRGAAALDH1A1MAPT
SCHEMBL2578103 0.65 LMNA (0.47) GAAALDH1A1ALOX15HSD17B10LMNA
SCHEMBL111808 0.64 ALDH1A1 (0.67) KMT2AGAAALDH1A1KDM4EMEN1
SCHEMBL1155953 0.64 LMNA (0.42) TSHRTP53ALDH1A1ALOX15KDM4E
SCHEMBL13715783 0.63 ALDH1A1 (0.50) KMT2AGAAALDH1A1KDM4EMEN1
SCHEMBL29452123 0.63 ALDH1A1 (0.55) GAAALDH1A1ALOX15HTTLMNA
SCHEMBL18754429 0.63 LMNA (0.68) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL26982634 0.63 LMNA (0.49) KMT2AGAATP53ALDH1A1HSD17B10

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
EP-2187748-B1 FUNGICIDAL COMPOUNDS AND MIXTURES DU PONT (US) 2017-07-05 EP disclosed
CN-104663674-A Fungicidal Mixtures DU PONT 2015-06-03 CN disclosed
CN-101969781-B Fungicidal compounds and mixtures DU PONT 2015-01-28 CN disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 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 (1 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 KMT2A 2074/4885TSHR 2769/4885GAA 726/4885

“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.