SCHEMBL173331

SCHEMBL173331

CSCCOC(=O)N(C)c1nnc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 13/20 0.59
KDM4E B2RXH2 2/20 0.59
TSHR P16473 3/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 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
SCHEMBL255583 0.89 HSD17B10 (0.61) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL10247004 0.87 HSD17B10 (0.61) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL10247006 0.85 HSD17B10 (0.66) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL10246874 0.84 HSD17B10 (0.58) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL173467 0.84 HSD17B10 (0.64) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL255850 0.83 HSD17B10 (0.57) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL174272 0.82 HSD17B10 (0.38) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL255827 0.82 HSD17B10 (0.61) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL255604 0.81 HSD17B10 (0.66) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL255587 0.79 HSD17B10 (0.70) HSD17B10KDM4ETSHRMEN1KMT2A

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
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 2001/4885KDM4E 2988/4885TSHR 1346/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 733/4885KDM4E 2511/4885TSHR 1032/4885

“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.