SCHEMBL4909210

SCHEMBL4909210

CCCCC(Br)c1cccc2c1C(=O)NC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
ATG4B Q9Y4P1 1/20 0.37
CHEK1 O14757 1/20 0.36
GSK3B P49841 2/20 0.35
CASP3 P42574 3/20 0.35
CASP7 P55210 2/20 0.35
CASP2 P42575 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
PARP1 P09874 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL28620531 0.94 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL1256987 0.91 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2247260 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9136212 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6285442 0.83 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10731506 0.80 CYSLTR2 (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6033869 0.80 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10384426 0.79 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL145624 0.77 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8815302 0.77 MEN1 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA

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-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 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 (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-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD ALDH1A1 690/4885KDM4E 2621/4885HPGD 1075/4885

“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.