SCHEMBL533928

SCHEMBL533928

Cc1c(Cc2ccc(C#N)cc2)c(O)nc2c(F)ccc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
CYP19A1 P11511 5/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
IDH1 O75874 1/20 0.33
CYP2A6 P11509 1/20 0.33
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
NSD2 O96028 1/20 0.30
HSD11B1 P28845 2/20 0.30

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
SCHEMBL534055 0.86 AR (0.36) ARCYP19A1LOXL2IDH1CYP2A6
SCHEMBL534061 0.85 AR (0.36) ARCYP19A1LOXL2
SCHEMBL533981 0.80 ALDH1A1 (0.37) ARSAE1UBA2CYP11B1CYP11B2
SCHEMBL534921 0.73 PTGDR2 (0.49) ARCYP19A1CYP2A6
SCHEMBL533987 0.73 AR (0.36) ARCYP19A1
SCHEMBL534060 0.71 AR (0.36) ARLOXL2
SCHEMBL533907 0.68 PTGS2 (0.38)
SCHEMBL534082 0.67 ALDH1A1 (0.37) CYP11B1CYP11B2
SCHEMBL2570703 0.66 PTGDR2 (0.46)
SCHEMBL3775557 0.63 KMT2A (0.40)

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008119917-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2008-10-09 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 (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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 AR 1091/4885CYP19A1 3165/4885LOXL2 438/4885

“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.