SCHEMBL6487224

SCHEMBL6487224

CN(C(=O)c1ccccc1Cl)c1nc(-c2ccccc2)sc1C(=O)O.Cc1cccc(C(=O)Nc2nc(-c3ccccc3)sc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ XDH P47989 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
SCHEMBL5196774 0.84 NPC1 (0.56) KCNK3KCNK9MAPTNPC1RAB9A
SCHEMBL5193285 0.83 POLB (0.51) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5196998 0.75 CYP1A2 (0.48) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5196153 0.71 SMN1; SMN2 (0.55) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5196565 0.71 SMN1; SMN2 (0.51) MAPTNPC1RAB9AKDM4ENPSR1
SCHEMBL5196876 0.71 SMN1; SMN2 (0.53) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5195674 0.70 XDH (0.62) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5196804 0.70 LMNA (0.53) KCNK3KCNK9MAPTNPC1RAB9A
SCHEMBL5193171 0.69 DHODH (0.52) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5197734 0.69 POLB (0.49) MAPTNPC1RAB9AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936629-B2 Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-08-30 — — US claimed
US-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-10-23 — — US claimed
EP-1321463-A1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections Shire Biochem Inc. (CA) 2003-06-25 — — EP claimed

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-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections HAVCR2, ZC3HAV1, EIF2AK2 KCNK3 3058/4885KCNK9 3534/4885MAPT 2270/4885

“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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