SCHEMBL3779488

SCHEMBL3779488

COC(=O)COc1ccc(Cl)c2nc(OC(C)C)c(Cc3ccc(F)cc3)c(C)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 10/20 0.36
CNR2 P34972 1/20 0.36
TRPC5 Q9UL62 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLA2G2A P14555 1/20 0.33

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
SCHEMBL3772529 0.93 ALDH1A1 (0.38) ALDH1A1MAPTCNR2LMNAKDM4E
SCHEMBL3781764 0.91 PTGDR2 (0.40) P2RX3TRPC5PLA2G2A
SCHEMBL3781075 0.86 PTGDR2 (0.36) ALDH1A1P2RX3CNR2LMNAKDM4E
SCHEMBL3779205 0.86 ALDH1A1 (0.38) ALDH1A1MAPTP2RX3CNR2TRPC5
SCHEMBL3785616 0.84 PTGDR2 (0.45) ALDH1A1MAPTKDM4ECXCR1CXCR2
SCHEMBL3779640 0.84 PTGDR2 (0.45) PLA2G2A
SCHEMBL534128 0.83 MAPT (0.35) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL3776310 0.83 TSHR (0.38) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL2575021 0.82 PTGDR2 (0.33) ALDH1A1MAPTP2RX3CNR2LMNA
SCHEMBL3783447 0.81 PTGDR2 (0.43) P2RX3PLA2G2A

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 ALDH1A1 4201/4885MAPT 4787/4885P2RX3 263/4885

“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.