SCHEMBL4764977

SCHEMBL4764977

CC(CCOC(=O)c1sc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc1C)=C(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.63
MAPT P10636 9/20 0.52
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
NPC1 O15118 6/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL4771024 0.87 CDC7 (0.48) XDHMAPTGAASMN1; SMN2RAB9A
SCHEMBL8867692 0.86 XDH (0.74) XDHMAPTGAASMN1; SMN2RAB9A
SCHEMBL4767765 0.83 RAB9A (0.55) XDHMAPTGAASMN1; SMN2RAB9A
SCHEMBL4769034 0.80 MAPT (0.58) MAPTGAASMN1; SMN2RAB9AMEN1
SCHEMBL4772749 0.80 CDC7 (0.51) MAPTGAASMN1; SMN2RAB9AMEN1
Dimethylamine SCHEMBL4762229 0.80 SMN1; SMN2 (0.53) MAPTGAASMN1; SMN2RAB9AMEN1
SCHEMBL4767637 0.80 SMN1; SMN2 (0.54) MAPTGAASMN1; SMN2RAB9AMEN1
SCHEMBL8866993 0.78 XDH (1.00) XDHMAPTGAASMN1; SMN2RAB9A
SCHEMBL4762227 0.78 CDC7 (0.49) MAPTGAASMN1; SMN2RAB9AMEN1
SCHEMBL4767473 0.77 CDC7 (0.48) MAPTGAASMN1; SMN2RAB9AMEN1

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 XDH 2949/4885MAPT 4388/4885GAA 3408/4885

“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.