SCHEMBL3549501

SCHEMBL3549501

CCC(CC)c1nc(C)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NOS1 P29475 1/20 0.41
FDPS P14324 1/20 0.37
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL19500885 0.88 SMN1; SMN2 (0.36) SMN1; SMN2NOS1FDPSESR2HSD17B10
SCHEMBL26078424 0.85 KDM4E (0.37) SMN1; SMN2NOS1ESR2HSD17B10L3MBTL1
SCHEMBL26350953 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NOS1FDPSESR2HSD17B10
SCHEMBL14234083 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NOS1FDPSESR2HSD17B10
SCHEMBL13103844 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NOS1FDPSESR2HSD17B10
SCHEMBL10192297 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NOS1FDPSESR2HSD17B10
SCHEMBL24919807 0.77 SMN1; SMN2 (0.34) SMN1; SMN2NOS1ESR2HSD17B10L3MBTL1
SCHEMBL27819802 0.75 SMN1; SMN2 (0.35) SMN1; SMN2NOS1ESR2HSD17B10L3MBTL1
SCHEMBL27819816 0.75 SMN1; SMN2 (0.35) SMN1; SMN2NOS1ESR2HSD17B10L3MBTL1
SCHEMBL21011913 0.74 SMN1; SMN2 (0.38) SMN1; SMN2NOS1FDPSESR2HSD17B10

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-11330821-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-05-17 US disclosed
US-10292394-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-21 US disclosed
US-20180116219-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 US disclosed
US-20180110225-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (5 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-11330821-B2 Herbicidal compounds DDT, HPD, HDHD5 SMN1; SMN2 4792/4885NOS1 3304/4885FDPS 361/4885
US-20180110225-A1 HERBICIDAL COMPOUNDS DDT, HPD, DDC SMN1; SMN2 4832/4885NOS1 2650/4885FDPS 195/4885
US-20180116219-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 SMN1; SMN2 4792/4885NOS1 3304/4885FDPS 361/4885
US-10292394-B2 Herbicidal compounds DDT, HPD, DDC SMN1; SMN2 4832/4885NOS1 2650/4885FDPS 195/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SMN1; SMN2 3601/4885NOS1 1900/4885FDPS 2976/4885

“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.