SCHEMBL6317461

SCHEMBL6317461

O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6317466 1.00 LMNA (0.42) LMNAALDH1A1HPGDMAPTHTT
SCHEMBL6324869 0.89 PPARA (0.42) ALDH1A1HPGDMAPTNPSR1PPARA
SCHEMBL6324874 0.89 PPARA (0.42) ALDH1A1HPGDMAPTNPSR1PPARA
SCHEMBL6317474 0.89 PPARA (0.43) ALDH1A1HPGDMAPTKDM4EPPARA
SCHEMBL6317480 0.89 PPARA (0.43) ALDH1A1HPGDMAPTKDM4EPPARA
SCHEMBL6325402 0.88 PPARA (0.37) LMNAHPGDKDM4EPPARA
SCHEMBL6326025 0.88 PPARA (0.37) LMNAHPGDKDM4EPPARA
SCHEMBL6320173 0.88 PPARA (0.41) PPARA
SCHEMBL6324598 0.88 ALDH1A1 (0.45) LMNAALDH1A1HPGDMAPTHTT
SCHEMBL6319459 0.86 PRMT1 (0.39) ALDH1A1KDM4E

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 LMNA 2582/4885ALDH1A1 245/4885HPGD 3099/4885

“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.