SCHEMBL2935649

SCHEMBL2935649

O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)cccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.51
TP53 P04637 1/20 0.50
CNR2 P34972 1/20 0.47
FEN1 P39748 3/20 0.44
ERCC5 P28715 2/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SERPINE1 P05121 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2935498 0.90 CHRM1 (0.63) CHRM1TP53CNR2FEN1ERCC5
SCHEMBL2936544 0.86 CHRM1 (0.44) CHRM1TP53CNR2POLBSMN1; SMN2
SCHEMBL2935928 0.84 TP53 (0.71) CHRM1TP53CNR2POLBSMN1; SMN2
SCHEMBL2935721 0.82 TP53 (0.51) TP53CNR2POLBSMN1; SMN2MAPT
SCHEMBL2932649 0.79 THRB (0.58) TP53CNR2POLBSMN1; SMN2MAPT
SCHEMBL2937844 0.79 MEN1 (0.62) CHRM1TP53CNR2POLBMAPT
SCHEMBL7188052 0.78 POLB (0.67) TP53CNR2POLBSMN1; SMN2MAPT
SCHEMBL2937713 0.77 CHRM1 (0.54) CHRM1TP53CNR2POLBSMN1; SMN2
SCHEMBL2936007 0.76 CNR2 (0.62) CHRM1TP53CNR2LMNA
SCHEMBL2930243 0.75 LMNA (0.71) CHRM1TP53CNR2LMNAL3MBTL1

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-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
EP-1730135-A1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2006-12-13 EP disclosed
WO-2005087759-A1 QIUNOLIN-4-ONES AS INHIBITORS OF RETROVIRAL INTEGRASE FOR THE TREATMENT OF HIV, AIDS AND AIDS RELATED COMPLEX (ARC) THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-22 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-20070219242-A1 Quinolin-4-Ones as Inhibitors of Retroviral Integrase for the Treatment of Hiv, Aids and Aids Related Complex (Arc) QTRT1, QTRT2, CTCF CHRM1 4089/4885TP53 3949/4885CNR2 4590/4885

“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.