SCHEMBL13799643

SCHEMBL13799643

COC(=O)Cc1nc(C)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AB1 P08238 1/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL22724174 0.78 HTT (0.48) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL13807585 0.77 LMNA (0.42) KDM4EALDH1A1USP2MAPTMEN1
SCHEMBL13799646 0.74 BCHE (0.45) KDM4EALDH1A1USP2MAPTMEN1
SCHEMBL14186810 0.68 NPSR1 (0.41) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL877929 0.68 HSD17B10 (0.38) KDM4EALDH1A1USP2KMT2ACYP1A2
SCHEMBL13799640 0.68 SMN1; SMN2 (0.39) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL11826578 0.67 HSP90AB1 (0.44) KDM4EALDH1A1USP2MAPTMEN1
SCHEMBL8653944 0.67 KDM4E (0.38) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL18770536 0.67 SMN1; SMN2 (0.38) KDM4EALDH1A1USP2MAPTGAA
SCHEMBL9680358 0.66 KDM4E (0.61) KDM4EALDH1A1USP2KMT2ARECQL

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 KDM4E 1248/4885ALDH1A1 999/4885USP2 3160/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 KDM4E 1248/4885ALDH1A1 999/4885USP2 3160/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 KDM4E 1248/4885ALDH1A1 999/4885USP2 3160/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 KDM4E 1248/4885ALDH1A1 999/4885USP2 3160/4885

“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.