SCHEMBL16978313

SCHEMBL16978313

CCC1(C(=O)OC)CC(c2ccc3ncccc3c2)=NO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
UTRN P46939 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
PIK3CA P42336 2/20 0.39
PLK1 P53350 1/20 0.39
F2 P00734 2/20 0.38
F10 P00742 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
SCHEMBL16978311 0.92 ALOX15 (0.44) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL16978312 0.89 ALOX15 (0.41) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL16978315 0.80 ALOX15 (0.43) ALOX15HTTNPC1RAB9APOLB
SCHEMBL16978319 0.80 ALOX15 (0.43) ALOX15HTTNPC1RAB9APOLB
SCHEMBL16978314 0.80 ALOX15 (0.43) ALOX15HTTNPC1RAB9APOLB
SCHEMBL16978320 0.80 ALOX15 (0.43) ALOX15HTTNPC1RAB9APOLB
SCHEMBL3898381 0.76 PYGL (0.47) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL3902665 0.68 RAB9A (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL24517790 0.68 F10 (0.41) F2F10PRSS1
SCHEMBL29846826 0.68 F10 (0.41) F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 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 (2 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-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 PDE4A 1981/4885PDE4B 1589/4885PDE4C 1458/4885
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 PDE4A 1981/4885PDE4B 1589/4885PDE4C 1458/4885

“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.