SCHEMBL5115809

SCHEMBL5115809

O=C(NOC1CCCCO1)c1cc2ccc(OC(F)(F)F)cc2n2nnnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.37
GLS O94925 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 1/20 0.36
SMURF1 Q9HCE7 4/20 0.35
ALDH1A1 P00352 4/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
SMURF2 Q9HAU4 2/20 0.33
TGFBR1 P36897 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5102482 0.90 NPSR1 (0.46) HPGDSNPSR1POLBALDH1A1TGFBR1
SCHEMBL4491044 0.86 CUL4A (0.36) NPSR1POLBALDH1A1TGFBR1KMT2A
SCHEMBL5109037 0.85 HSD17B10 (0.40) ALDH1A1TGFBR1MEN1TSHRKMT2A
SCHEMBL5116735 0.81 HSD17B10 (0.35) NPSR1POLBALDH1A1TGFBR1MEN1
SCHEMBL5106704 0.81 EGFR (0.38) NPSR1ALDH1A1TGFBR1MEN1USP2
SCHEMBL5102600 0.80 HDAC6 (0.37) HPGDSPLA2G10PLA2G2APLA2G5KMT2A
SCHEMBL4502684 0.78 CCNA2 (0.35) NPSR1POLBALDH1A1TGFBR1MEN1
SCHEMBL5109733 0.77 CCNA2 (0.41) ALDH1A1TGFBR1KMT2AGSTP1GSTM2
SCHEMBL5114414 0.77 CCNA2 (0.43) NPSR1ALDH1A1TGFBR1TSHRKMT2A
SCHEMBL5114296 0.77 LMNA (0.48) NPSR1POLBALDH1A1TGFBR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US claimed
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP claimed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 WO claimed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 HPGDS 1629/4885GLS 67/4885NPSR1 3998/4885

“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.