SCHEMBL2656822

SCHEMBL2656822

CCCC[Sn](CCCC)(CCCC)c1cc(OC)ncc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
SRC P12931 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2657823 0.78 MEN1 (0.32) MEN1KMT2APABPC1
SCHEMBL4921753 0.72 HPGDS (0.39) ARKDM4EHTTL3MBTL1ALDH1A1
SCHEMBL2657423 0.72 TLR8 (0.32) KDM4E
SCHEMBL20743415 0.71 KDM4E (0.30) MEN1KMT2AKDM4EPABPC1
SCHEMBL30259816 0.69 AR (0.35) AR
SCHEMBL30133728 0.69 RECQL (0.47) ARSRCGAAAAK1EGFR
SCHEMBL20845910 0.69 RECQL (0.47) ARSRCGAAAAK1EGFR
SCHEMBL21552078 0.68 SIRT6 (0.35) MEN1KMT2APABPC1
SCHEMBL18314759 0.68 PDE10A (0.38) ARSRCAAK1CYP3A4HPGD
SCHEMBL25328626 0.68 KMT2A (0.37) ARMEN1KMT2AKDM4EGAA

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
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 WO 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF AR 3818/4885SRC 4639/4885MEN1 1506/4885

“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.