SCHEMBL1679702

SCHEMBL1679702

NN(CCO)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDK1 P06493 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LIN28A Q9H9Z2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6158014 0.71 POLB (0.52) HSD17B10POLBALDH1A1L3MBTL1MAPT
SCHEMBL4165548 0.71 CTH (0.36) HSP90AA1L3MBTL1SMN1; SMN2TDP1
SCHEMBL21949697 0.70 HSP90AA1 (0.35) P2RX7HSP90AA1
Hydrochloric Acid SCHEMBL20515794 0.68 HSP90AA1 (0.33) HSP90AA1
SCHEMBL4468683 0.67 KDM4E (0.43) SCN9APOLBALDH1A1L3MBTL1MAPT
SCHEMBL20515694 0.65 CTH (0.32) HSP90AA1MAPT
SCHEMBL21949702 0.65 MAOA (0.33) HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL20515541 0.65 MAPT (0.32) POLBHSP90AA1MAPTTDP1
SCHEMBL15380817 0.64
Hydrochloric Acid SCHEMBL20515788 0.64 LMNA (0.33) ALDH1A1SMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-2583556-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-20 EP disclosed
EP-2583556-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-20 EP disclosed
EP-2591674-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
EP-2591674-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
US-20140336186-A1 Heterocyclic Compounds as Pesticides BAYER CORPSCIENCE AG (DE) 2014-11-13 US disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583557-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583557-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
EP-2309857-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-04-20 EP disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 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 (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-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS HSD17B10 624/4885SCN9A 2795/4885POLB 4429/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS HSD17B10 624/4885SCN9A 2795/4885POLB 4429/4885

“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.