SCHEMBL3680304

SCHEMBL3680304

N#CC1CCN(C(=O)Cn2nc(Cl)nc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
TP53 P04637 1/20 0.61
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
JAK1 P23458 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR1 P32246 2/20 0.32
JAK2 O60674 3/20 0.32
JAK3 P52333 2/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL3683406 0.79 KMT2A (0.41) TSHRTP53KMT2AALDH1A1MEN1
SCHEMBL3694308 0.78 TSHR (0.63) TSHRTP53KMT2AGAAALDH1A1
SCHEMBL38659345 0.70 ALDH1A1 (0.38) KMT2AGAAALDH1A1MEN1JAK1
SCHEMBL2597648 0.70 ALDH1A1 (0.58) ALDH1A1JAK1SMN1; SMN2POLBNPC1
SCHEMBL4103626 0.69 GAA (0.43) GAACCR1LMNA
SCHEMBL16405709 0.68 DPP4 (0.39) ALDH1A1KDM4EJAK1JAK2JAK3
SCHEMBL13079257 0.67 ALDH1A1 (0.36) ALDH1A1KDM4EJAK1JAK2JAK3
SCHEMBL13045920 0.67 EPHX2 (0.47) ALDH1A1NPC1
SCHEMBL15808560 0.67 CPN1 (0.46) TSHRTP53GAAALDH1A1JAK1
SCHEMBL14655446 0.66 NAMPT (0.47) ALDH1A1KDM4EJAK1HSD17B10JAK2

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 TSHR 2769/4885TP53 4055/4885KMT2A 2074/4885

“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.