SCHEMBL5875644

SCHEMBL5875644

NC(=O)c1ncc(CN2CCOCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TBK1 Q9UHD2 3/20 0.41
HTT P42858 1/20 0.41
OGA O60502 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CA2 P00918 1/20 0.40
IKBKE Q14164 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL30620404 0.88 SMN1; SMN2 (0.53) SMN1; SMN2GAALMNAKDM4ETBK1
SCHEMBL1032607 0.78 SMN1; SMN2 (0.51) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL458310 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL4590541 0.76 ALDH1A1 (0.64) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL28975291 0.76 NPC1 (0.59) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
Trifluoroacetic Acid SCHEMBL465775 0.75 KCNJ1 (0.46) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL27099904 0.74 OGA (0.65) SMN1; SMN2OGA
SCHEMBL470928 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL12654042 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C19
SCHEMBL29950392 0.74 KDM4E (0.43) NPC1KDM4ETBK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP SMN1; SMN2 106/4885NPC1 83/4885CYP1A2 3772/4885

“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.