SCHEMBL3687891

SCHEMBL3687891

O=C(O)Cn1nc(Br)nc1Br

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.38
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMO O15229 1/20 0.33
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
TSHR P16473 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
SCHEMBL15707431 0.80 KMT2A (0.50) KMT2AALDH1A1KMOCSNK2A2CSNK2A1
SCHEMBL15987832 0.73 KMT2A (0.48) KMT2AALDH1A1GAA
SCHEMBL15114975 0.73 KMT2A (0.51) KMT2AALDH1A1LMNAALOX15HSD17B10
SCHEMBL15988007 0.73 KMT2A (0.48) KMT2AALDH1A1LMNAGAAALOX15
SCHEMBL3688050 0.69 KMT2A (0.43) KMT2AALDH1A1GAAHSD17B10TSHR
SCHEMBL24512064 0.69 KMT2A (0.42) KMT2A
SCHEMBL11628045 0.67 LMNA (0.44) ALDH1A1LMNAGAAEPHX2ALOX15
SCHEMBL11196988 0.67 ALDH1A1 (0.47) KMT2AALDH1A1LMNAGAAEPHX2
SCHEMBL3684848 0.67 KMT2A (0.62) KMT2AALDH1A1LMNAGAAALOX15
SCHEMBL15156836 0.65 HDAC1 (0.47) KMT2AALDH1A1LMNAGAAEPHX2

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 2074/4885ALDH1A1 440/4885LMNA 2648/4885

“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.