SCHEMBL5159601

SCHEMBL5159601

N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
MAPT P10636 6/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
MAOB P27338 3/20 0.42
PTGS2 P35354 2/20 0.41
APP P05067 1/20 0.41
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5160059 0.86 MAOB (0.51) EGFRERBB2MAPTKMT2APOLB
SCHEMBL7140529 0.86 MAOB (0.51) EGFRERBB2MAPTKMT2APOLB
SCHEMBL5159434 0.84 MAPT (0.58) MAPTKMT2APOLBMEN1MAOB
SCHEMBL5159432 0.84 MAOB (0.49) EGFRERBB2MAPTKMT2APOLB
SCHEMBL5159821 0.78 MAOB (0.58) EGFRERBB2MAPTKMT2APOLB
SCHEMBL5159395 0.77 CYP1A2 (0.48) EGFRERBB2MAPTKMT2APOLB
SCHEMBL4490386 0.72 MAOB (0.65) EGFRERBB2MAPTKMT2AMEN1
SCHEMBL4490392 0.72 MAOB (0.65) EGFRERBB2MAPTKMT2AMEN1
SCHEMBL5159630 0.72 MAOB (0.53) EGFRERBB2MAPTKMT2APOLB
SCHEMBL5159642 0.72 MAOB (0.53) EGFRERBB2MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US claimed
EP-1752446-A2 Compounds for modulating cell proliferation HSC Research and Development Limited Partnership (CA) 2007-02-14 EP disclosed
US-20060241084-A1 Inhibition of vascular endothelial growth factor THE HOSPITAL FOR SICK CHILDREN (CA) 2006-10-26 US disclosed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US disclosed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 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-20060241084-A1 Inhibition of vascular endothelial growth factor VEGFA, FLT4, FLT1 HSPD1 1045/4885HSPE1 1107/4885EGFR 22/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 HSPD1 775/4885HSPE1 568/4885EGFR 1340/4885

“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.