SCHEMBL2931083

SCHEMBL2931083

CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
THRB P10828 3/20 0.52
P2RX3 P56373 1/20 0.49
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
PRNP P04156 1/20 0.48
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.45
CNR2 P34972 1/20 0.45
SERPINE1 P05121 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2937117 0.92 THRB (0.62) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL2935939 0.90 THRB (0.51) MEN1KMT2ATHRBP2RX3MAPT
SCHEMBL2937575 0.90 TP53 (0.61) THRBMAPTPOLBTP53CNR2
SCHEMBL2930484 0.88 MEN1 (0.49) MEN1KMT2ATHRBP2RX3MAPT
SCHEMBL2937844 0.85 MEN1 (0.62) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL2937266 0.83 ALDH1A1 (0.53) MAPTTP53GAACNR2ALDH1A1
SCHEMBL2937713 0.82 CHRM1 (0.54) MEN1KMT2ATHRBMAPTPOLB
SCHEMBL2936544 0.82 CHRM1 (0.44) MEN1KMT2ATHRBP2RX3MAPT
SCHEMBL2937566 0.81 LMNA (0.61) TP53CNR2
SCHEMBL2935565 0.81 CHRM1 (0.53) TP53

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 MEN1 4566/4885KMT2A 134/4885THRB 4067/4885

“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.