SCHEMBL534004

SCHEMBL534004

COC(=O)C(C)Oc1ccc(F)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLK7 P49862 1/20 0.41
OGG1 O15527 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL534003 1.00 ALDH2 (0.46) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL3446364 0.88 ALDH2 (0.46) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL29278719 0.84 TDP1 (0.56) ALDH1A1KMT2APOLBSMN1; SMN2GAA
SCHEMBL29278721 0.84 TDP1 (0.56) ALDH1A1KMT2APOLBSMN1; SMN2GAA
SCHEMBL23606004 0.81 POLB (0.46) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL14447013 0.79 ALDH2 (0.53) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL14447025 0.79 ALDH2 (0.53) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL4250581 0.79 KMT2A (0.58) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL27350768 0.79 ALDH2 (0.44) ALDH2ALDH1A1MEN1KMT2APOLB
SCHEMBL27350771 0.79 ALDH2 (0.44) ALDH2ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
CN-101316591-B Quinoline compound and pharmaceutical application thereof ARGENTA ORAL THERAPEUTICS LTD. (GB) 2012-02-01 CN disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
CN-101715441-A Quinoline derivatives as CRTH2 receptor ligands ARGENTA DISCOVERY LTD 2010-05-26 CN disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 CN disclosed
WO-2008119917-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2008-10-09 WO disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO 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 (2 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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 ALDH2 1629/4885ALDH1A1 2924/4885MEN1 4563/4885
US-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 ALDH2 3368/4885ALDH1A1 4201/4885MEN1 4140/4885

“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.