SCHEMBL2809794

SCHEMBL2809794

O=C(Nc1ccccc1)C(=CSc1ccccc1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3036930 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2809793 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2811520 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2811519 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2808173 0.82 DAO (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2808172 0.82 DAO (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2808706 0.81 LMNA (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2808703 0.81 LMNA (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3036932 0.80 MAPT (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2812942 0.79 DAO (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-8318981-B2 Imidate compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 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-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-19 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
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 (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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 NPC1 3668/4885RAB9A 1842/4885SMN1; SMN2 1135/4885
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL CYP1A1, CYC1, C1S NPC1 3080/4885RAB9A 1330/4885SMN1; SMN2 1829/4885

“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.