SCHEMBL6494841

SCHEMBL6494841

O=C1CCCC(Cl)=C1C(=O)c1ccc(Cl)c(Cn2cnnn2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL6482840 0.98 MAPK1 (0.34) MAPK1ALDH1A1KDM4EL3MBTL1F10
SCHEMBL6480815 0.86
SCHEMBL6481403 0.82 MAPK1 (0.35) MAPK1
SCHEMBL6481979 0.81 POLB (0.33) F10
SCHEMBL6480971 0.81 MAPK1 (0.35) MAPK1ALDH1A1F10
SCHEMBL6493117 0.79 POLB (0.33) F10
SCHEMBL6495071 0.78 MAPK1 (0.35) MAPK1ALDH1A1KDM4EL3MBTL1F10
SCHEMBL6481316 0.78 MAPK1 (0.41) MAPK1ALDH1A1KDM4EL3MBTL1F10
SCHEMBL6492717 0.78 MAPK1 (0.41) MAPK1ALDH1A1KDM4EL3MBTL1F10
SCHEMBL6482302 0.76 MAPK1 (0.33) MAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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 (3 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-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, MAVS MAPK1 3645/4885ALDH1A1 2188/4885KDM4E 68/4885
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 MAPK1 3670/4885ALDH1A1 943/4885KDM4E 40/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 MAPK1 2914/4885ALDH1A1 533/4885KDM4E 2902/4885

“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.