SCHEMBL3903407

SCHEMBL3903407

C=CCC(C)(C)c1nnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GAA P10253 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
SCHEMBL3898490 0.81 ALDH1A1 (0.44) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL30905073 0.78 ALDH1A1 (0.53) ALDH1A1POLB
SCHEMBL22736874 0.76 ALDH1A1 (0.50) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL9712815 0.76 ALDH1A1 (0.45) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3903400 0.75 HTT (0.31)
SCHEMBL3905026 0.75 ALDH1A1 (0.48) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL1691131 0.75 ALDH1A1 (0.48) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3902817 0.73 ALDH1A1 (0.47) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL9712886 0.72 ALDH1A1 (0.45) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL3901800 0.72 ALDH1A1 (0.45) ALDH1A1POLBKDM4ENPC1RAB9A

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 22 patents — showing the first 20. 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 claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
US-7232820-B2 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-06-19 US claimed
EP-1735294-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
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-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US 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 (4 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 2945/4885POLB 3697/4885KDM4E 3582/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ALDH1A1 2945/4885POLB 3697/4885KDM4E 3582/4885
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ALDH1A1 834/4885POLB 2882/4885KDM4E 3286/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ALDH1A1 2945/4885POLB 3697/4885KDM4E 3582/4885

“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.