SCHEMBL6319596

SCHEMBL6319596

CC(C)(C(=O)O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC9A1 P19634 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 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
SCHEMBL6319451 0.78 PRMT1 (0.39) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6319459 0.78 PRMT1 (0.39) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6324433 0.77 PRMT1 (0.38) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6324429 0.77 PRMT1 (0.38) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL2157905 0.77 PRMT1 (0.38) PRMT1ALDH1A1KDM4ESLC9A1CYP3A4
SCHEMBL3812662 0.77 PRMT1 (0.39) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6325337 0.77 SOS1 (0.41) ALDH1A1LMNAHTTTP53
SCHEMBL6323677 0.76 PRMT1 (0.38) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL2158560 0.76 PRMT1 (0.39) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL6318403 0.72 PRMT1 (0.40) PRMT1CYP1A2CYP2C19

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 PRMT1 2162/4885ALDH1A1 245/4885KDM4E 3367/4885

“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.

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