SCHEMBL2938808

SCHEMBL2938808

CCOC(=O)C(=O)CC(=O)c1cn(CCCCc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.58
CNR1 P21554 3/20 0.48
CYP19A1 P11511 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2937566 0.87 LMNA (0.61) CNR2CNR1LMNA
SCHEMBL2937104 0.87 CNR2 (0.60) CNR2CNR1LMNA
SCHEMBL2936547 0.80 P2RX3 (0.57) CNR2LMNA
SCHEMBL2935565 0.80 CHRM1 (0.53) LMNA
SCHEMBL2937575 0.79 TP53 (0.61) CNR2LMNA
SCHEMBL2938122 0.79 CNR1 (0.52) CNR2CNR1LMNA
SCHEMBL2937266 0.79 ALDH1A1 (0.53) CNR2LMNA
SCHEMBL2935538 0.78 CHRM1 (0.67) LMNA
SCHEMBL2937692 0.78 MAPT (0.62) CNR2LMNA
SCHEMBL2934327 0.78 CHRM1 (0.50) CNR2LMNA

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 CNR2 4590/4885CNR1 4385/4885CYP19A1 1266/4885

“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.