SCHEMBL2811520

SCHEMBL2811520

O=C(Nc1ccccc1)C(=CSc1ccc(F)cc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2811519 1.00 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2809794 0.91 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3036930 0.91 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2809793 0.91 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2813273 0.83 DAO (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2813275 0.83 DAO (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2811124 0.81 HPGD (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2811122 0.81 HPGD (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2808196 0.79 KMT2A (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2808198 0.79 KMT2A (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 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 (1 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 NPC1 3668/4885RAB9A 1842/4885MEN1 3112/4885

“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.