SCHEMBL6495071

SCHEMBL6495071

O=C1CCCCC(=O)C1C(=O)c1ccc(Cl)c(Cn2cnnn2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.34
RCE1 Q9Y256 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
IGF2BP1 Q9NZI8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL6480971 0.98 MAPK1 (0.35) MAPK1KMT2AALDH1A1ATMRCE1
SCHEMBL6483175 0.83 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL6482840 0.81 MAPK1 (0.34) MAPK1KMT2AALDH1A1ATMRCE1
SCHEMBL6491519 0.80 POLB (0.34) LMNASMN1; SMN2F10
SCHEMBL6481316 0.80 MAPK1 (0.41) MAPK1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6492717 0.80 MAPK1 (0.41) MAPK1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6494841 0.78 MAPK1 (0.34) MAPK1ALDH1A1KDM4EL3MBTL1F10
SCHEMBL6480867 0.78 MAPK1 (0.37) MAPK1KMT2A
SCHEMBL6491262 0.78 POLB (0.34) LMNASMN1; SMN2F10
SCHEMBL6482302 0.76 MAPK1 (0.33) MAPK1KMT2AALDH1A1ATMRCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 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 (2 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 MAPK1 445/4885KMT2A 3201/4885ALDH1A1 4483/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 MAPK1 2914/4885KMT2A 1800/4885ALDH1A1 533/4885

“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.