SCHEMBL3501181

SCHEMBL3501181

N#Cc1ccc(Cn2ccnc2)c(OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.60
FNTB P49356 10/20 0.60
PGGT1B P53609 10/20 0.60
CYP11B1 P15538 7/20 0.52
CYP11B2 P19099 5/20 0.52
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 5/20 0.51

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
SCHEMBL3500166 0.92 CYP11B1 (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7983963 0.91 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL3499432 0.90 FNTA (0.69) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7970989 0.89 FNTA (0.68) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL10946436 0.85 CYP19A1 (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL3502539 0.81 FNTA (0.89) FNTAFNTBPGGT1B
SCHEMBL3499427 0.81 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7970985 0.80 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7983941 0.77 MAOB (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL2823981 0.76 TBXAS1 (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2

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 21 patents — showing the first 20. 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-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO 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
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 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
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 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 4/4885FNTB 19/4885PGGT1B 274/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 FNTA 19/4885FNTB 24/4885PGGT1B 191/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885FNTB 49/4885PGGT1B 2532/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN FNTA 12/4885FNTB 44/4885PGGT1B 1996/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF FNTA 1/4885FNTB 2/4885PGGT1B 2649/4885

“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.