SCHEMBL13799640

SCHEMBL13799640

COC(=O)Cc1nn(C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 4/20 0.36
HSP90AB1 P08238 1/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL18770536 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPTGAAHSP90AB1
SCHEMBL13799635 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPTGAAHSP90AB1
SCHEMBL13799632 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPTGAAHSP90AB1
SCHEMBL13799633 0.79 ALDH1A1 (0.40) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL13807673 0.77 ALDH1A1 (0.56) SMN1; SMN2KDM4EMAPTGAAHTT
SCHEMBL26945695 0.74 GAA (0.38) KDM4EGAAALDH1A1
SCHEMBL18770506 0.73 MAPT (0.35) SMN1; SMN2KDM4EMAPTGAAHSP90AB1
SCHEMBL13799646 0.70 BCHE (0.45) SMN1; SMN2KDM4EMAPTHSP90AB1HTT
SCHEMBL14564363 0.69 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTGAAHTT
SCHEMBL20592879 0.69 NPC1 (0.40) SMN1; SMN2KDM4EMAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 (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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 SMN1; SMN2 3677/4885KDM4E 1248/4885MAPT 4131/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 SMN1; SMN2 3677/4885KDM4E 1248/4885MAPT 4131/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 SMN1; SMN2 3677/4885KDM4E 1248/4885MAPT 4131/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 SMN1; SMN2 3677/4885KDM4E 1248/4885MAPT 4131/4885

“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.