SCHEMBL3772679

SCHEMBL3772679

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.38
PLA2G2A P14555 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL3771049 0.92 LMNA (0.39) LMNACYP1A2CYP2C9HIF1AKDM4E
SCHEMBL3779500 0.90 LMNA (0.38) LMNACYP1A2CYP2C9HIF1AKDM4E
SCHEMBL3776193 0.90 KDM4E (0.39) LMNACYP1A2CYP2C9HIF1AKDM4E
SCHEMBL3772144 0.86 PTGDR2 (0.43) LMNACYP1A2CYP2C9HIF1AKDM4E
SCHEMBL3779603 0.83 KDM4E (0.39) LMNACYP1A2CYP2C9HIF1AKDM4E
SCHEMBL3778548 0.81 TSHR (0.42) LMNAKDM4EPTGDR2KMT2AALDH1A1
SCHEMBL3779168 0.81 TDP1 (0.45) PTGDR2TSHRTDP1MAPT
SCHEMBL3782152 0.80 TDP1 (0.43) KDM4EPTGDR2PLA2G2ANPSR1TSHR
SCHEMBL3781075 0.80 PTGDR2 (0.36) LMNAKDM4EPTGDRPTGDR2KMT2A
SCHEMBL3778420 0.79 KDM4E (0.43) LMNACYP1A2CYP2C9HIF1AKDM4E

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 LMNA 3732/4885CYP1A2 2189/4885CYP2C9 2182/4885

“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.