SCHEMBL2937668

SCHEMBL2937668

CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2F)c2cc(Cl)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.49
TP53 P04637 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 1/20 0.44
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
MAPK8 P45983 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
SCHEMBL2930311 0.89 NPC1 (0.56) TP53RXFP1MAPTSMN1; SMN2NPC1
SCHEMBL2936721 0.87 MAPT (0.50) P2RX3TP53RXFP1MAPTSMN1; SMN2
SCHEMBL2936547 0.80 P2RX3 (0.57) P2RX3TP53MAPTSMN1; SMN2KMT2A
SCHEMBL2931083 0.79 MEN1 (0.61) P2RX3TP53RXFP1MAPTKMT2A
SCHEMBL2936011 0.79 ALDH1A1 (0.48) TP53RXFP1NPC1RAB9ANOD2
SCHEMBL2937575 0.78 TP53 (0.61) TP53MAPTSMN1; SMN2
SCHEMBL2937566 0.77 LMNA (0.61) TP53
SCHEMBL2930851 0.77 TP53 (0.61) TP53MAPTKMT2AMEN1
SCHEMBL2935939 0.76 THRB (0.51) P2RX3TP53RXFP1MAPTKMT2A
SCHEMBL2937266 0.75 ALDH1A1 (0.53) TP53MAPTSMN1; SMN2

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 P2RX3 4462/4885TP53 3949/4885RXFP1 4256/4885

“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.