SCHEMBL3901800

SCHEMBL3901800

CC(C)(CCO)c1nnc(N)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.32
GAA P10253 1/20 0.31
FBP1 P09467 1/20 0.30

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
SCHEMBL1691131 0.84 ALDH1A1 (0.48) ALDH1A1PTGS1PTGS2POLBKDM4E
SCHEMBL3912154 0.83 ALDH1A1 (0.38) ALDH1A1HTTHSD17B10
SCHEMBL3902817 0.82 ALDH1A1 (0.47) ALDH1A1PTGS1PTGS2POLBKDM4E
SCHEMBL9712886 0.81 ALDH1A1 (0.45) ALDH1A1PTGS1PTGS2POLBKDM4E
SCHEMBL21157252 0.79 ALDH1A1 (0.44) ALDH1A1PTGS1PTGS2POLBKDM4E
SCHEMBL3906965 0.78 ALDH1A1 (0.42) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL22736874 0.78 ALDH1A1 (0.50) ALDH1A1PTGS1PTGS2POLBKDM4E
SCHEMBL30904980 0.77 ALDH1A1 (0.55) ALDH1A1POLBF2FBP1
SCHEMBL3897430 0.77 ALDH1A1 (0.41) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3905026 0.76 ALDH1A1 (0.48) ALDH1A1PTGS1PTGS2POLBKDM4E

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-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US 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 (3 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ALDH1A1 2945/4885PTGS1 2769/4885PTGS2 3924/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ALDH1A1 2945/4885PTGS1 2769/4885PTGS2 3924/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ALDH1A1 2945/4885PTGS1 2769/4885PTGS2 3924/4885

“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.