SCHEMBL968300

SCHEMBL968300

C[C@H](N)C(=O)OC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2CC[C@@H]4C)CC1.O=[N+]([O-])c1ccccc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KCNH2 Q12809 3/20 0.40
AADAT Q8N5Z0 2/20 0.40
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 3/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 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
SCHEMBL971756 0.90 LMNA (0.63) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL969051 0.88 LMNA (0.68) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL968981 0.87 LMNA (0.61) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL966483 0.87 LMNA (0.73) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL3968764 0.87 LMNA (0.73) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL3968769 0.87 LMNA (0.73) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL3965024 0.87 LMNA (0.73) LMNAKCNH2AADATKDM4EALDH1A1
Hydrochloric Acid SCHEMBL967999 0.86 LMNA (0.72) LMNAKCNH2AADATKDM4EALDH1A1
Acetic Acid SCHEMBL3970329 0.85 LMNA (0.71) LMNAKCNH2AADATKDM4EALDH1A1
Acetic Acid SCHEMBL3970333 0.85 LMNA (0.71) LMNAKCNH2AADATKDM4EALDH1A1

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-1993547-B1 PRODRUGS OF BENZOQUINOLIZINE-2-CARBOXYLIC ACID WOCKHARDT LTD (IN) 2012-08-22 EP disclosed
US-7868173-B2 Prodrugs of benzoquinolizine-2-carboxylic acid WOCKHARDT LIMITED (IN) 2011-01-11 US disclosed
EP-1993547-A2 PRODRUGS OF BENZOQUINOLIZINE-2-CARBOXYLIC ACID Wockhardt Limited (IN) 2008-11-26 EP disclosed
US-20070219227-A1 Prodrugs of benzoquinolizine-2-carboxylic acid PATEL MAHESH V 2007-09-20 US disclosed
WO-2007102061-A2 PRODRUGS OF BENZOQUINOLIZINE-2-CARBOXYLIC ACID WOCKHARDT LTD (IN) 2007-09-13 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-20070219227-A1 Prodrugs of benzoquinolizine-2-carboxylic acid BCAT2, ALAD, BCAT1 LMNA 3146/4885KCNH2 1741/4885AADAT 9/4885

“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.