SCHEMBL5875757

SCHEMBL5875757

CCCCc1cnc(C(N)=O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
HRH2 P25021 4/20 0.40
DRD2 P14416 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL3427789 0.95 CCNE1 (0.48) FDPSCCNE1CDK2CDK5HRH2
SCHEMBL14028860 0.93 CCNE1 (0.47) FDPSCCNE1CDK2CDK5HRH2
SCHEMBL2827606 0.82 SMYD3 (0.47) FDPSCCNE1CDK2CDK5GABRP
SCHEMBL14003763 0.81 HRH2 (0.34) FDPSCCNE1CDK2CDK5HRH2
SCHEMBL21199834 0.79 CCNE1 (0.52) FDPSCCNE1CDK2CDK5HRH2
SCHEMBL19156092 0.78 CCNE1 (0.51) FDPSCCNE1CDK2CDK5
SCHEMBL16267819 0.78 CCNE1 (0.48) FDPSCCNE1CDK2CDK5HRH2
SCHEMBL13412496 0.78 NUDT1 (0.35) FDPSHRH2TSHRSMN1; SMN2SMYD3
SCHEMBL5875581 0.77 PSEN1 (0.45) DRD3ALDH1A1KDM4ELMNACYP1A2
SCHEMBL5875847 0.76 LOXL2 (0.36) TSHRIKBKBSMN1; SMN2SMYD3

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 9 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
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
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 (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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 FDPS 1100/4885CCNE1 1968/4885CDK2 2305/4885
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 FDPS 207/4885CCNE1 1420/4885CDK2 1057/4885
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP FDPS 1957/4885CCNE1 1853/4885CDK2 1792/4885

“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.