SCHEMBL4071545

SCHEMBL4071545

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)n1ccccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
IDO2 Q6ZQW0 2/20 0.42
KIF11 P52732 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL4138770 0.82 IDO1 (0.43) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL13881533 0.78 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4147074 0.78 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4134489 0.78 IDO1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4138762 0.77 ELOVL1 (0.37) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL27704120 0.77 PSIP1 (0.44) IDO1TDO2IDO2TP53MAPT
SCHEMBL3970595 0.77 IDO1 (0.36) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4139178 0.76 APP (0.41) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL13881922 0.76 FGFR1 (0.38) IDO1TDO2IDO2MAPTKDM4E
SCHEMBL4071227 0.75 IDO1 (0.40) IDO1TDO2IDO2KIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO claimed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US claimed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 IDO1 996/4885TDO2 2448/4885IDO2 1281/4885

“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.