SCHEMBL4769499

SCHEMBL4769499

CC(CCOC(=O)c1cn(-c2ccccc2)nc1C)=C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL4763215 0.82 KLKB1 (0.42) MAPK1NPC1RAB9ADGAT1ALDH1A1
SCHEMBL6172144 0.81 NPSR1 (0.67) NPSR1MAPK1NPC1RAB9ADGAT1
SCHEMBL4767573 0.77 MAPK1 (0.56) MAPK1NPC1RAB9AALDH1A1MAPT
SCHEMBL4767569 0.76 ALDH1A1 (0.33) NPSR1MAPK1ALDH1A1MAPTLMNA
SCHEMBL716746 0.76 MAPT (0.69) NPSR1MAPK1NPC1RAB9ADGAT1
SCHEMBL4767809 0.74 TEAD2 (0.36) MAPK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10604729 0.74 MAPT (0.57) MAPK1NPC1RAB9ADGAT1ALDH1A1
SCHEMBL4763122 0.73 PLK1 (0.52) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL4767563 0.72 LMNA (0.59) MAPK1NPC1RAB9AALDH1A1LMNA
SCHEMBL4298023 0.72 ALDH1A1 (0.59) NPSR1MAPK1NPC1RAB9ADGAT1

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 NPSR1 2069/4885MAPK1 1705/4885NPC1 2528/4885

“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.