SCHEMBL5193874

SCHEMBL5193874

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PAX8 Q06710 1/20 0.38
▸ TRPM8 Q7Z2W7 4/20 0.38
▸ CDC7 O00311 3/20 0.38
▸ DBF4 Q9UBU7 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 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
SCHEMBL5196998 0.87 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5195687 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5196634 0.80 TRPM8 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5193911 0.79 RAB9A (0.42) CYP1A2CYP2C19MAPTSMN1; SMN2NPC1
SCHEMBL5193285 0.76 POLB (0.51) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5193746 0.74 CYP3A4 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5195339 0.74 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5196876 0.71 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL5195341 0.71 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5193749 0.71 CYP3A4 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19NPC1

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
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.

Send feedback