SCHEMBL1680233

SCHEMBL1680233

CN(C)C(=O)C=Cc1nnc(-c2cccnc2)s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.55
KDM4E B2RXH2 3/20 0.55
TSHR P16473 3/20 0.54
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
S1PR1 P21453 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2412008 0.78 CYP1A2 (0.54) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL27768804 0.75 KDM4E (0.58) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL1638860 0.75 HSD17B10 (0.61) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL15991053 0.75 MAPT (0.43) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL718812 0.73 HSD17B10 (0.73) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL2405896 0.72 HSD17B10 (0.55) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL12278020 0.72 HSD17B10 (0.55) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL255585 0.72 HSD17B10 (0.64) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL717549 0.72 HSD17B10 (0.64) HSD17B10KDM4ETSHRALDH1A1RAB9A
SCHEMBL24150011 0.72 RAB9A (0.67) KDM4ERAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586311-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-2583557-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-8809547-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-08-19 US disclosed
EP-2591674-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-15 EP disclosed
EP-2586312-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 EP disclosed
EP-2586311-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 EP disclosed
EP-2583557-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
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

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 624/4885KDM4E 1877/4885TSHR 2318/4885
US-20140336186-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS HSD17B10 624/4885KDM4E 1877/4885TSHR 2318/4885

“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.