SCHEMBL3683406

SCHEMBL3683406

N#CC1CCN(C(=O)Cn2nc(Br)nc2Br)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.36
JAK2 O60674 5/20 0.33
JAK3 P52333 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 1/20 0.32
MEN1 O00255 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CCR1 P32246 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3680304 0.79 TSHR (0.64) KMT2ATSHRTP53JAK2JAK3
SCHEMBL3681750 0.78 KMT2A (0.40) KMT2ATSHRTP53MEN1ALDH1A1
SCHEMBL38659345 0.70 ALDH1A1 (0.38) KMT2AJAK1MEN1ALDH1A1CCR1
SCHEMBL4103626 0.69 GAA (0.43) CCR1
SCHEMBL16405709 0.68 DPP4 (0.39) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL15808560 0.67 CPN1 (0.46) TSHRTP53JAK1ALDH1A1
SCHEMBL13079257 0.67 ALDH1A1 (0.36) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL2597648 0.67 ALDH1A1 (0.58) JAK1ALDH1A1SMN1; SMN2
SCHEMBL13045920 0.67 EPHX2 (0.47) ALDH1A1
SCHEMBL14655446 0.66 NAMPT (0.47) JAK2JAK3JAK1TYK2ALDH1A1

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-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US claimed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP claimed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO claimed
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 2769/4885TP53 4055/4885

“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.