SCHEMBL2774148

SCHEMBL2774148

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CCR1 P32246 6/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.41
EPHX2 P34913 5/20 0.41
SRD5A1 P18405 1/20 0.40
ACACB O00763 1/20 0.40
FAAH O00519 1/20 0.40
CNR1 P21554 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2J2 P51589 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 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
SCHEMBL2775023 0.92 LIPE (0.46) MMP2MMP13LMNACCR1KMT2A
SCHEMBL2788699 0.91 MMP2 (0.43) MMP2MMP13LMNATP53THRB
SCHEMBL2773756 0.91 MMP2 (0.43) MMP2MMP13LMNATP53THRB
SCHEMBL2774870 0.91 CCR1 (0.52) LMNACCR1KMT2ANAMPTSRD5A1
SCHEMBL2774241 0.91 CCR1 (0.52) LMNACCR1KMT2ANAMPTSRD5A1
SCHEMBL12977746 0.90 LMNA (0.45) LMNACCR1KMT2ANAMPTSRD5A1
SCHEMBL2776482 0.90 CCR1 (0.46) LMNACCR1KMT2ANAMPTSRD5A1
SCHEMBL2775406 0.90 MMP2 (0.44) MMP2MMP13LMNATP53THRB
SCHEMBL12846872 0.90 LMNA (0.44) LMNACCR1KMT2ANAMPTSRD5A1
SCHEMBL2774809 0.89 CCR1 (0.52) CCR1KCNH2

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 6 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

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 MMP2 2162/4885MMP13 2586/4885LMNA 1316/4885

“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.