SCHEMBL6320113

SCHEMBL6320113

O=C(O)C(Cc1ccccc1)N(Cc1ccc(-c2nccs2)cc1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KIF11 P52732 1/20 0.39
SHMT1 P34896 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL6317252 1.00 TRPM4 (0.40) TRPM4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6318448 0.88 KIF11 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19KIF11
SCHEMBL6317248 0.88 KIF11 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19KIF11
SCHEMBL6323213 0.87 KIF11 (0.37) KIF11SHMT1
SCHEMBL6323216 0.87 KIF11 (0.37) KIF11SHMT1
SCHEMBL6317869 0.85 PPARA (0.48) ADAMTS5
SCHEMBL6322860 0.83 PPARA (0.44) ADAMTS5
SCHEMBL6322854 0.83 PPARA (0.44) ADAMTS5
SCHEMBL6318428 0.82 KIF11 (0.38) KIF11SHMT1
SCHEMBL6315726 0.81 PPARA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
EP-1395571-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Shire Biochem Inc. (CA) 2004-03-10 EP claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
WO-2002100846-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2002-12-19 WO claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS TRPM4 1977/4885CYP1A2 514/4885CYP2D6 1300/4885

“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.