SCHEMBL4770583

SCHEMBL4770583

Cc1ccc([N]C(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 9/20 0.39
LMNA P02545 2/20 0.39
CES2 O00748 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
SCHEMBL3628364 0.80 MAPT (0.40) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL5699982 0.75 TDP1 (0.54) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL163160 0.73 HTR3E (0.54) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL10681124 0.73 TDP1 (0.47) SMN1; SMN2MAPTTDP1NPC1MAPK1
Diamide SCHEMBL3864332 0.71 TSHR (0.59) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
P-Xylene SCHEMBL6214884 0.71 ALDH1A1 (0.50) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL11488891 0.68 HTR3E (0.54) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL10533424 0.68 HTR3E (0.54) SMN1; SMN2MAPTTDP1NPC1MAPK1
SCHEMBL11182821 0.67 TDP1 (0.55) SMN1; SMN2MAPTTDP1NPC1RAB9A
SCHEMBL15153262 0.67 HTR3E (0.52) SMN1; SMN2MAPTTDP1NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM SMN1; SMN2 2115/4885MAPT 4388/4885TDP1 4027/4885

“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.