SCHEMBL3501573

SCHEMBL3501573

COc1cc(Cn2cncc2CN2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)ccc1C#N

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.70
PGGT1B P53609 18/20 0.70
FNTB P49356 16/20 0.70
NRAS P01111 1/20 0.58
HRAS P01112 1/20 0.58

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
Hydrochloric Acid SCHEMBL7192628 0.99 FNTA (0.70) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL7657378 0.94 FNTA (0.72) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL31471968 0.92 FNTA (0.82) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL31471961 0.90 FNTA (0.67) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL31471963 0.89 FNTA (0.68) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL7189055 0.88 FNTA (0.82) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL7664298 0.87 FNTA (0.78) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7570982 0.87 FNTA (0.62) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL31471990 0.87 FNTA (0.77) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7665099 0.86 FNTA (0.52) FNTAPGGT1BFNTBNRASHRAS

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 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-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 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 (5 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT FNTA 4/4885PGGT1B 274/4885FNTB 19/4885
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.