SCHEMBL4462369

SCHEMBL4462369

O=C(O)CC(NC(=O)CC(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2 P17301 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP26A1 O43174 1/20 0.41
ITGA2B P08514 5/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3681590 1.00 ITGB3 (0.47) ITGB3ITGA2LMNAALDH1A1ALOX5
SCHEMBL349307 0.86 ITGB3 (0.58) ITGB3ITGA2LMNAALDH1A1ALOX5
SCHEMBL349308 0.86 ITGB3 (0.58) ITGB3ITGA2LMNAALDH1A1ALOX5
SCHEMBL350063 0.83 ITGB3 (0.62) ITGB3ITGA2LMNAALDH1A1ALOX5
SCHEMBL350064 0.83 ITGB3 (0.62) ITGB3ITGA2LMNAALDH1A1ALOX5
SCHEMBL349323 0.80 ITGB3 (0.36) ITGB3ITGA2LMNA
SCHEMBL2850903 0.74 NPC1 (0.57) ITGB3ITGA2ALDH1A1SMN1; SMN2CYP26A1
SCHEMBL3679858 0.73 CA2 (0.48) ITGB3ITGA2ALOX5SMN1; SMN2HTT
SCHEMBL7173218 0.72 SMN1; SMN2 (0.74) ITGB3LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7175551 0.72 SMN1; SMN2 (0.74) ITGB3LMNAALDH1A1SMN1; SMN2HTT

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-8647882-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2014-02-11 US disclosed
US-8268631-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2012-09-18 US disclosed
US-20090229352-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2009-09-17 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-20090229352-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 ITGB3 3802/4885ITGA2 3095/4885LMNA 2351/4885

“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.