SCHEMBL10246774

SCHEMBL10246774

CN(C(=O)CCSc1ccccc1)c1nnc(-c2cccnc2)s1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 13/20 0.65
TSHR P16473 3/20 0.65
KDM4E B2RXH2 6/20 0.58
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
S1PR1 P21453 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL173467 0.87 HSD17B10 (0.64) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL10247000 0.86 HSD17B10 (0.63) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255600 0.86 KDM4E (0.66) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255426 0.85 HSD17B10 (0.61) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255947 0.85 HSD17B10 (0.61) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL173407 0.85 HSD17B10 (0.62) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255599 0.84 HSD17B10 (0.60) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255632 0.83 HSD17B10 (0.67) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255596 0.83 HSD17B10 (0.59) HSD17B10TSHRKDM4EMAPK1MAPT
SCHEMBL255827 0.83 HSD17B10 (0.61) HSD17B10TSHRKDM4EMAPK1MAPT

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 6 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-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-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 2001/4885TSHR 1346/4885KDM4E 2988/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 733/4885TSHR 1032/4885KDM4E 2511/4885

“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.