SCHEMBL1471791

SCHEMBL1471791

O=C(Nc1cc(Cl)ccc1Cl)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2J2 P51589 4/20 0.66
CYP2C19 P33261 1/20 0.66
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.52
RBP4 P02753 3/20 0.49
TRPV1 Q8NER1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL1472459 0.86 EPHX2 (0.53) EPHX2CYP2C9CYP2J2CYP2C19MAPT
SCHEMBL4109820 0.80 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL8297736 0.78 MAPT (0.74) CYP2C19MAPTKDM4ERBP4TRPV1
SCHEMBL13873413 0.78 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL1472471 0.78 RBP4 (0.59) EPHX2MAPTRBP4
SCHEMBL4095935 0.76 EPHX2 (0.74) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4107804 0.76 EPHX2 (0.70) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4109744 0.74 EPHX2 (0.89) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4106308 0.73 EPHX2 (0.79) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL1231493 0.72 SCD (0.50) EPHX2CYP2C9CYP2J2CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US 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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A EPHX2 2432/4885CYP2C9 3737/4885CYP2J2 3655/4885

“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.