SCHEMBL2813283

SCHEMBL2813283

COc1ccc(NC(=O)C(C)=COc2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
TP53 P04637 5/20 0.53
MAPT P10636 3/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.48
TGM2 P21980 1/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2810891 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2813279 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2810887 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2809779 0.94 TDP1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2809784 0.94 TDP1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2807343 0.94 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2807337 0.94 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2809949 0.89 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2809947 0.89 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2810917 0.87 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2TP53MAPT

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 3 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-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 1842/4885SMN1; SMN2 1135/4885

“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.