SCHEMBL2935928

SCHEMBL2935928

O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.71
CNR2 P34972 2/20 0.63
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
CHRM1 P11229 2/20 0.59
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7188052 0.92 POLB (0.67) TP53CNR2POLBALDH1A1MAPT
SCHEMBL2930243 0.92 LMNA (0.71) TP53CNR2LMNACHRM1
SCHEMBL2938668 0.90 DNTT (0.62) TP53LMNACHRM1
SCHEMBL2936007 0.90 CNR2 (0.62) TP53CNR2LMNACHRM1
SCHEMBL2932649 0.89 THRB (0.58) TP53CNR2POLBMAPTSMN1; SMN2
SCHEMBL2937844 0.89 MEN1 (0.62) TP53CNR2LMNAPOLBCHRM1
SCHEMBL2937922 0.88 LMNA (0.57) TP53CNR2LMNACHRM1ALDH1A1
SCHEMBL2937096 0.86 LMNA (0.60) TP53CNR2LMNACHRM1
SCHEMBL2936946 0.86 LMNA (0.57) TP53LMNACHRM1ALDH1A1MAPT
SCHEMBL2933160 0.86 CHRM1 (0.76) LMNAPOLBCHRM1ALDH1A1MAPT

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 TP53 3949/4885CNR2 4590/4885LMNA 4260/4885

“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.