SCHEMBL3502103

SCHEMBL3502103

COc1cc(Cc2nccn2CN2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.45
PGGT1B P53609 13/20 0.45
FNTB P49356 12/20 0.45
KCNH2 Q12809 5/20 0.40
KCNJ1 P48048 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL7665099 0.90 FNTA (0.52) FNTAPGGT1BFNTBKCNH2KCNJ1
Hydrochloric Acid SCHEMBL8088734 0.90 FNTA (0.51) FNTAPGGT1BFNTBKCNH2KCNJ1
SCHEMBL3518400 0.81 FNTA (0.47) FNTAPGGT1BFNTBKCNH2KCNJ1
SCHEMBL7460780 0.80 FNTA (0.45) FNTAPGGT1BFNTBKCNH2KCNJ1
SCHEMBL3502102 0.80 FNTA (0.45) FNTAPGGT1BFNTBKCNH2KCNJ1
SCHEMBL3500642 0.79 FNTA (0.62) FNTAPGGT1BFNTB
SCHEMBL3501573 0.79 FNTA (0.70) FNTAPGGT1BFNTB
Hydrochloric Acid SCHEMBL7192628 0.79 FNTA (0.70) FNTAPGGT1BFNTB
Hydrochloric Acid SCHEMBL8067266 0.79 FNTA (0.61) FNTAPGGT1BFNTB
SCHEMBL3499750 0.78 FNTA (0.54) FNTAPGGT1BFNTBKCNH2

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
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US disclosed
US-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 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-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 FNTA 19/4885PGGT1B 191/4885FNTB 24/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885PGGT1B 2532/4885FNTB 49/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN FNTA 12/4885PGGT1B 1996/4885FNTB 44/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF FNTA 1/4885PGGT1B 2649/4885FNTB 2/4885

“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.