SCHEMBL5154877

SCHEMBL5154877

CCCCOC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.56
RXRA P19793 2/20 0.50
NR1I2 O75469 1/20 0.47
NR4A2 P43354 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HMGCR P04035 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G2A P14555 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL30595117 0.90 PRKAA2 (0.60) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL27685938 0.90 PRKAA2 (0.60) PRKAA2RXRANR1I2NR4A2PDE4D
Toluene SCHEMBL27930704 0.87 PRKAA2 (0.57) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL356302 0.84 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL1744135 0.81 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL13861857 0.79 PRKAA2 (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL18791302 0.78 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL13257547 0.77 NR4A2 (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6068355 0.76 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29275375 0.76 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262476-B1 PROCESSES FOR PREPARING QUINOLINE DERIVATIVES AND INTERMEDIATES THEREOF NISSAN CHEMICAL IND LTD (JP) 2007-01-10 EP disclosed
US-6855824-B2 Processes for preparing quinoline derivatives and intermediates thereof KURARAY CO., LTD. (JP) 2005-02-15 US disclosed
US-20030125355-A1 Processes for preparing quinoline derivatives and intermedias thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-03 US disclosed
EP-1262476-A1 PROCESSES FOR PREPARING QUINOLINE DERIVATIVES AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2002-12-04 EP 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-20030125355-A1 Processes for preparing quinoline derivatives and intermedias thereof NQO1, ADH1B, IDH3B PRKAA2 2107/4885RXRA 851/4885NR1I2 1699/4885

“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.