SCHEMBL6316129

SCHEMBL6316129

O=C(O)C(Cc1ccccc1)N(Cc1cnc(-c2cccc(C(F)(F)F)c2)s1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPM8 Q7Z2W7 3/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIFC1 Q9BW19 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL6316122 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL6317122 0.87 MEN1 (0.38) HPGDPPARGMEN1KMT2AKIFC1
SCHEMBL6316543 0.85 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL6319451 0.84 PRMT1 (0.39) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL6319459 0.84 PRMT1 (0.39) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2410053 0.83 TRPM8 (0.48) TRPM8HPGDPPARGMEN1KMT2A
SCHEMBL2410055 0.83 TRPM8 (0.48) TRPM8HPGDPPARGMEN1KMT2A
SCHEMBL6317022 0.83 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL6317028 0.83 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19TRPM8
SCHEMBL6319650 0.81 RORB (0.47) HPGDMEN1KMT2ALMNA

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 4 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
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US 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 CYP1A2 514/4885CYP2D6 1300/4885CYP2C9 951/4885

“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.