SCHEMBL2931733

SCHEMBL2931733

O=C(O)C(=O)CC(=O)c1cn(Cc2ccccc2F)c2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
NOD2 Q9HC29 1/20 0.60
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.51
TP53 P04637 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
PTPN1 P18031 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CHRM1 P11229 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL2937552 0.89 LMNA (0.51) RAB9ANPC1NOD2LMNATP53
SCHEMBL2936721 0.87 MAPT (0.50) RAB9ANPC1NOD2MAPTTP53
SCHEMBL17338644 0.86 LMNA (0.69) RAB9ANPC1NOD2MAPTLMNA
SCHEMBL2930311 0.85 NPC1 (0.56) RAB9ANPC1NOD2MAPTLMNA
SCHEMBL2930243 0.84 LMNA (0.71) LMNATP53CHRM1L3MBTL1
SCHEMBL2935928 0.84 TP53 (0.71) MAPTLMNATP53SMN1; SMN2ALDH1A1
SCHEMBL2932156 0.84 TP53 (0.65) MAPTLMNATP53CHRM1
SCHEMBL1549166 0.83 MAPT (0.76) RAB9ANPC1NOD2MAPTLMNA
SCHEMBL2937922 0.81 LMNA (0.57) LMNATP53SMN1; SMN2ALDH1A1HTT
SCHEMBL17346986 0.81 NPC1 (0.59) RAB9ANPC1NOD2MAPTLMNA

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 RAB9A 1211/4885NPC1 928/4885NOD2 3494/4885

“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.