SCHEMBL350069

SCHEMBL350069

O=C(C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.49
ITGA2 P17301 3/20 0.49
ALOX5 P09917 2/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.39
GAA P10253 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
SCHEMBL370959 0.84 ITGB3 (0.39) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL350063 0.80 ITGB3 (0.62) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL350064 0.80 ITGB3 (0.62) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL348441 0.80 ALDH1A1 (0.56) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL349307 0.76 ITGB3 (0.58) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL349308 0.76 ITGB3 (0.58) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL3679858 0.73 CA2 (0.48) ITGB3ITGA2ALOX5SMN1; SMN2HTT
SCHEMBL350072 0.73 ALOX5 (0.46) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL350071 0.73 ALOX5 (0.46) ITGB3ITGA2ALOX5KMT2AALDH1A1
SCHEMBL10796469 0.70 HTT (0.51) ITGB3ITGA2ALOX5KMT2AALDH1A1

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
EP-2252393-B1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP disclosed
US-8647882-B2 Chiral selectors and stationary phases for separating enantiomer mixtures EVONIK DEGUSSA GMBH (DE) 2014-02-11 US disclosed
US-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2012-01-19 US disclosed
EP-2252393-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES Evonik Degussa GmbH (DE) 2010-11-24 EP disclosed
WO-2009112325-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2009-09-17 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-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 ITGB3 3802/4885ITGA2 3095/4885ALOX5 4649/4885

“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.