SCHEMBL5875732

SCHEMBL5875732

CC(C)CCNCc1cnc(N)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC8A1 P32418 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
CYP1A2 P05177 1/20 0.33
HDAC1 Q13547 1/20 0.33
KDM1A O60341 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL5875803 0.83 CA2 (0.42) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5875727 0.79 SLC8A1 (0.38) HTTL3MBTL1SLC8A1HDAC1
SCHEMBL27646959 0.78 SMN1; SMN2 (0.41) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5875708 0.78 SMN1; SMN2 (0.46) POLBALDH1A1MAPTTHRBHTT
SCHEMBL6193695 0.77 POLB (0.39) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5875819 0.76 SMN1; SMN2 (0.45) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5835893 0.73 ALDH1A1 (0.46) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5875833 0.71 PSEN1 (0.40) ALDH1A1MAPTHTTTDP1SMN1; SMN2
SCHEMBL6198202 0.70 SMN1; SMN2 (0.46) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5132531 0.70 MEN1 (0.42) NOS1CYP1A2MEN1KMT2A

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 POLB 4524/4885ALDH1A1 590/4885MAPT 9/4885

“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.