SCHEMBL2966443

SCHEMBL2966443

COc1cccc(Cn2cc(C(=O)CC(=O)C(=O)O)c(=O)c3ccccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
CHRM1 P11229 1/20 0.60
LMNA P02545 4/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL2933160 0.89 CHRM1 (0.76) MAPTCHRM1LMNAALDH1A1POLB
SCHEMBL2937692 0.89 MAPT (0.62) MAPTCHRM1LMNAALDH1A1TP53
SCHEMBL13762897 0.87 CHRM1 (0.77) MAPTCHRM1LMNAALDH1A1TP53
SCHEMBL2931231 0.87 MAPT (0.68) MAPTCHRM1LMNAALDH1A1TP53
SCHEMBL2930243 0.86 LMNA (0.71) CHRM1LMNATP53CNR2CNR1
SCHEMBL2937922 0.85 LMNA (0.57) CHRM1LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL2937596 0.83 LMNA (0.55) CHRM1LMNATP53CNR2
SCHEMBL13762896 0.82 MAPT (0.69) MAPTCHRM1LMNAALDH1A1TP53
SCHEMBL12707380 0.81 MAPT (0.68) MAPTCHRM1LMNAALDH1A1TP53
SCHEMBL2932156 0.81 TP53 (0.65) MAPTCHRM1LMNATP53CNR2

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 MAPT 1583/4885CHRM1 4089/4885LMNA 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.