SCHEMBL3057948

SCHEMBL3057948

O=CC(C(=O)C(=O)O)c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
KDM4E B2RXH2 8/20 0.43
LMNA P02545 3/20 0.43
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 4/20 0.40
PRNP P04156 3/20 0.40
RXFP1 Q9HBX9 3/20 0.40
MAPK10 P53779 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
HTT P42858 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL2975562 0.79 KMT2A (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL2557489 0.76 NCF1 (0.43) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL13356728 0.76 NPC1 (0.49) KDM4ELMNACNR2ALDH1A1MAPT
SCHEMBL7774729 0.71 MGAM (0.52) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL1459296 0.71 NCF1 (0.41) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL11663983 0.71 CYP1A2 (0.44) MGAMKDM4ELMNAALDH1A1MAPT
SCHEMBL3673078 0.70 KDM4E (0.55) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL27325063 0.70 MGAM (0.50) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL1613317 0.70 MGAM (0.50) MGAMKDM4ELMNACNR2ALDH1A1
SCHEMBL27721065 0.70 MGAM (0.50) MGAMKDM4ELMNACNR2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MGAM 2246/4885KDM4E 833/4885LMNA 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.