SCHEMBL4772518

SCHEMBL4772518

CCOC(=O)c1cnc(Cc2ccccc2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
FOS P01100 1/20 0.59
JUN P05412 1/20 0.59
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 5/20 0.54
MAPT P10636 5/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
ALDH1A1 P00352 7/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 2/20 0.52

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
SCHEMBL8396996 0.88 NFKB1 (0.58) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL4769384 0.84 HPGD (0.47) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL8394439 0.84 NFKB1 (0.65) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL4765935 0.83 RAB9A (0.64) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL4770770 0.82 RAB9A (0.47) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL20328544 0.78 RAB9A (0.55) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL3572484 0.78 ALDH1A1 (0.78) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL1811356 0.78 RAB9A (0.51) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL8394445 0.77 RAB9A (0.54) RAB9ANPSR1NFKB1NFKB2RELA
SCHEMBL8396997 0.76 RAB9A (0.53) RAB9ANPSR1NFKB1NFKB2RELA

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 RAB9A 838/4885NPSR1 2069/4885NFKB1 1091/4885

“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.