SCHEMBL5196998

SCHEMBL5196998

CN(C(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CDC7 O00311 1/20 0.40

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
SCHEMBL5193285 0.89 POLB (0.51) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL5193874 0.87 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5195339 0.86 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5193746 0.86 CYP3A4 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5195687 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5196876 0.84 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1
SCHEMBL2158219 0.77 ACLY (0.45) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5196153 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL6487224 0.75 KCNK3 (0.45) CYP1A2CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL5193171 0.75 DHODH (0.52) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
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
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP disclosed
EP-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP disclosed
US-6936629-B2 Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-08-30 — — US disclosed
US-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-10-23 — — US disclosed
EP-1321463-A1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections Shire Biochem Inc. (CA) 2003-06-25 — — EP 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-20030199503-A1 Compounds and methods for the treatment of prevention of flavivirus infections HAVCR2, ZC3HAV1, EIF2AK2 CYP1A2 526/4885CYP2D6 1295/4885CYP2C9 989/4885

“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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