SCHEMBL2937552

SCHEMBL2937552

O=C(O)C(=O)CC(=O)c1cn(Cc2c(F)cccc2F)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.50
PTPN1 P18031 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CHRM1 P11229 1/20 0.48
PDE4A P27815 1/20 0.48
PDE7A Q13946 1/20 0.48
CNR2 P34972 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL2931733 0.89 RAB9A (0.60) LMNATP53PTPN1ERCC5FEN1
SCHEMBL2936011 0.85 ALDH1A1 (0.48) LMNATP53CHRM1CNR2CYP1A2
SCHEMBL2930243 0.84 LMNA (0.71) LMNATP53CHRM1CNR2
SCHEMBL2935928 0.84 TP53 (0.71) LMNATP53CHRM1CNR2HTT
SCHEMBL2937922 0.84 LMNA (0.57) LMNATP53CHRM1CNR2HTT
SCHEMBL2936007 0.81 CNR2 (0.62) LMNATP53CHRM1CNR2
SCHEMBL2938668 0.81 DNTT (0.62) LMNATP53CHRM1
SCHEMBL2937096 0.80 LMNA (0.60) LMNATP53CHRM1CNR2
SCHEMBL2966443 0.79 MAPT (0.67) LMNATP53CHRM1CNR2
SCHEMBL2937596 0.78 LMNA (0.55) LMNATP53CHRM1CNR2

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
EP-1730135-B1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) US OF AMERICA REPRESENTED BY T (US) 2010-09-22 EP disclosed
US-7776883-B2 Quinolin-4-ones as inhibitors of retroviral integrase for the treatment of HIV, AIDS and AIDS related complex (ARC) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-17 US disclosed
US-20070219242-A1 Quinolin-4-Ones as Inhibitors of Retroviral Integrase for the Treatment of Hiv, Aids and Aids Related Complex (Arc) GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2007-09-20 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-20070219242-A1 Quinolin-4-Ones as Inhibitors of Retroviral Integrase for the Treatment of Hiv, Aids and Aids Related Complex (Arc) QTRT1, QTRT2, CTCF LMNA 4260/4885TP53 3949/4885PTPN1 3701/4885

“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.