SCHEMBL5196156

SCHEMBL5196156

O=C(CNc1nc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 7/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ XDH P47989 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL5195685 0.84 CYP1A2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL5194046 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL5195674 0.81 XDH (0.62) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL28245757 0.77 RAB9A (0.56) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL28246572 0.76 RAB9A (0.61) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL3831660 0.75 CYP1A2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL2252377 0.75 PTPN1 (0.55) RAB9AKDM4EPOLBMAPTALDH1A1
SCHEMBL4485015 0.72 CDC7 (0.71) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL5551093 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL5193171 0.71 DHODH (0.52) SMN1; SMN2NPC1RAB9AKDM4EPOLB

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 8 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
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 SMN1; SMN2 669/4885NPC1 11/4885RAB9A 1550/4885

“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