SCHEMBL3581561

SCHEMBL3581561

CC(=NO)c1cccc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
KDM4E B2RXH2 1/20 0.52
P2RX7 Q99572 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
GRM5 P41594 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 1/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL874802 1.00 HSP90AA1 (0.54) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL14877170 1.00 HSP90AA1 (0.54) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL3391652 0.87 KDM4E (0.59) HSP90AA1KDM4EHKDC1IRAK4RAB9A
SCHEMBL9768783 0.82 HSP90AA1 (0.53) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL14960437 0.81 KDM4E (0.53) HSP90AA1KDM4EHKDC1IRAK4CCR1
SCHEMBL14733007 0.79 CCR1 (0.46) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL3596024 0.78 HSP90AA1 (0.43) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL3596033 0.78 HSP90AA1 (0.43) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL3596036 0.78 HSP90AA1 (0.43) HSP90AA1KDM4EP2RX7HKDC1GRM5
SCHEMBL2769660 0.78 KDM4E (0.50) HSP90AA1KDM4EGRM5IRAK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US 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 (4 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 HSP90AA1 2350/4885KDM4E 3618/4885P2RX7 630/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO HSP90AA1 3488/4885KDM4E 1075/4885P2RX7 445/4885
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 HSP90AA1 3938/4885KDM4E 452/4885P2RX7 1144/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT HSP90AA1 3862/4885KDM4E 428/4885P2RX7 706/4885

“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.