SCHEMBL3782767

SCHEMBL3782767

Cc1c(Cc2ccc(F)cc2F)c(=O)[nH]c2c(F)ccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NEK1 Q96PY6 3/20 0.35
DAO P14920 4/20 0.35
DDO Q99489 2/20 0.35
P2RX7 Q99572 1/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3776982 0.90 KDM4E (0.39) NEK1P2RX7KCNH2KDM4E
SCHEMBL3779905 0.89 KDM4E (0.38) NEK1DAODDOHTR1ACYP1A2
SCHEMBL3778310 0.84 ALDH1A1 (0.39) PTGS1PTGS2DAODDO
SCHEMBL3785180 0.84 KDM4E (0.47) PTGS1NEK1KCNH2KDM4E
SCHEMBL3784913 0.79 PTGS2 (0.41) PTGS1PTGS2NEK1KDM4E
SCHEMBL3344884 0.78 SLC2A1 (0.39) PTGS1PTGS2DAO
SCHEMBL3345036 0.74 PTGS2 (0.41) PTGS1PTGS2DAO
SCHEMBL3778300 0.74 PSIP1 (0.34) PTGS1PTGS2NEK1DAODDO
SCHEMBL3781883 0.71 ALDH1A1 (0.40) P2RX7KCNH2KDM4E
SCHEMBL3776006 0.70 PTGDR (0.39) PTGS1CYP1A2KDM4E

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 5 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
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US 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 (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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 PTGS1 584/4885PTGS2 821/4885NEK1 1453/4885

“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.