SCHEMBL4771392

SCHEMBL4771392

COc1ccc(N(C)c2nc(C)c(C(=O)OCCC(C)=C(F)F)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
RXFP1 Q9HBX9 4/20 0.41
NPC1 O15118 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 3/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36

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
SCHEMBL4767663 0.92 RAB9A (0.38) ALDH1A1NPC1NPSR1KDM4ESMN1; SMN2
SCHEMBL4769325 0.90 KMT2A (0.40) ALDH1A1RXFP1NPC1KDM4ESMN1; SMN2
SCHEMBL4762382 0.90 RAB9A (0.44) ALDH1A1NPC1NPSR1KDM4ESMN1; SMN2
SCHEMBL4771254 0.87 NPC1 (0.39) ALDH1A1RXFP1NPC1NPSR1KDM4E
SCHEMBL4763347 0.86 ALDH1A1 (0.38) ALDH1A1RXFP1NPC1NPSR1KDM4E
SCHEMBL4771178 0.81 RXRA (0.42) ALDH1A1NPC1NPSR1KDM4ESMN1; SMN2
SCHEMBL4763548 0.80 ALDH1A1 (0.36) ALDH1A1NPC1NPSR1KDM4ESMN1; SMN2
SCHEMBL4767515 0.80 RAB9A (0.42) ALDH1A1NPC1NPSR1KDM4ESMN1; SMN2
SCHEMBL4763093 0.80 KDM4E (0.41) ALDH1A1RXFP1NPC1NPSR1KDM4E
SCHEMBL4762386 0.78 MAPT (0.60) ALDH1A1RXFP1NPC1NPSR1KDM4E

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 ALDH1A1 875/4885RXFP1 1469/4885NPC1 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.