SCHEMBL13799646

SCHEMBL13799646

COC(=O)Cc1cc(C)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 4/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
HSP90AB1 P08238 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL13799645 0.83 TSHR (0.45) BCHEBAZ2BALDH1A1LMNAHTT
SCHEMBL11826578 0.83 HSP90AB1 (0.44) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL22445351 0.81 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL13205786 0.80 BCHE (0.49) BCHEBAZ2BALDH1A1LMNAHTT
SCHEMBL3579752 0.80 LMNA (0.60) ALDH1A1LMNAKDM4EUSP2HSP90AB1
SCHEMBL2669781 0.79 MAPT (0.44) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL3304144 0.79 BCHE (0.47) BCHEBAZ2BALDH1A1LMNAHTT
SCHEMBL13973012 0.78 KDM4E (0.40) ALDH1A1LMNAHTTKDM4EUSP2
SCHEMBL2755869 0.74 ALDH1A1 (0.60) BCHEBAZ2BALDH1A1LMNAHTT
SCHEMBL13799643 0.74 KDM4E (0.41) ALDH1A1LMNAHTTKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291556-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 BCHE 1929/4885BAZ2B 2242/4885ALDH1A1 999/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 BCHE 1929/4885BAZ2B 2242/4885ALDH1A1 999/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 BCHE 1929/4885BAZ2B 2242/4885ALDH1A1 999/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 BCHE 1929/4885BAZ2B 2242/4885ALDH1A1 999/4885

“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.