SCHEMBL1638860

SCHEMBL1638860

CN(C)C(=O)c1nnc(-c2cccnc2)s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.61
KDM4E B2RXH2 2/20 0.61
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.49
S1PR1 P21453 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1680202 0.85 RAB9A (0.59) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL2423066 0.83 NPC1 (0.49) HSD17B10KDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL27768803 0.83 KDM4E (0.58) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL12571309 0.82 KDM4E (0.57) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL12725592 0.81 KDM4E (0.55) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL12278020 0.80 HSD17B10 (0.55) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL2405896 0.80 HSD17B10 (0.55) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL18265428 0.80 CYP1A2 (0.61) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL18195379 0.80 ALDH1A1 (0.54) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL1423771 0.79 KDM4E (0.54) HSD17B10KDM4ETSHRSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2730569-B1 New amides and thioamides as pest control agents BAYER CROPSCIENCE AG (DE) 2016-11-30 EP disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
EP-2730569-A1 New amides and thioamides as pest control agents Bayer CropScience AG (DE) 2014-05-14 EP disclosed
EP-2730568-A1 NEW HETEROAROMATIC AMIDES AND THIOAMIDES AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2014-05-14 EP disclosed
EP-2725023-A1 New heteroaromatic amides as pest control agents Bayer CropScience AG (DE) 2014-04-30 EP disclosed
EP-2725020-A1 New heteroaromatic amides and thioamides as pest control agents Bayer CropScience AG (DE) 2014-04-30 EP disclosed
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides BAYER CROPSCIENCE AG (DE) 2011-04-28 US disclosed
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides BAYER CROPSCIENCE AG (DE) 2011-04-28 US disclosed
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides BAYER CROPSCIENCE AG (DE) 2011-04-28 US disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 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-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides AADAC, DDT, TST HSD17B10 2938/4885KDM4E 2366/4885TSHR 138/4885
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides AADAC, DDT, TST HSD17B10 2938/4885KDM4E 2366/4885TSHR 138/4885

“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.