SCHEMBL2773530

SCHEMBL2773530

C[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NAMPT P43490 4/20 0.44
SRD5A1 P18405 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CCR1 P32246 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CNR1 P21554 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL12847133 0.92 NAMPT (0.44) LMNANAMPTSRD5A1ALDH1A1HRH3
SCHEMBL2774870 0.91 CCR1 (0.52) LMNANAMPTSRD5A1ALDH1A1CCR1
SCHEMBL2774241 0.91 CCR1 (0.52) LMNANAMPTSRD5A1ALDH1A1CCR1
SCHEMBL2775515 0.91 EPHX2 (0.44) NAMPTSRD5A1ALDH1A1CCR1HRH3
SCHEMBL2773756 0.90 MMP2 (0.43) LMNANAMPTSRD5A1ALDH1A1CNR1
SCHEMBL2788699 0.90 MMP2 (0.43) LMNANAMPTSRD5A1ALDH1A1CNR1
SCHEMBL2775592 0.90 HRH3 (0.42) NAMPTSRD5A1ALDH1A1HRH3CNR1
SCHEMBL2775661 0.90 SCN9A (0.41) NAMPTHRH3CNR1
SCHEMBL12847235 0.90 SRD5A1 (0.44) LMNANAMPTSRD5A1ALDH1A1CCR1
SCHEMBL2774940 0.89 THRB (0.44) LMNANAMPTITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US claimed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP claimed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
WO-2009119537-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE 第一三共株式会社 (JP) 2009-10-01 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 LMNA 1316/4885NAMPT 1696/4885SRD5A1 141/4885

“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.