SCHEMBL3499467

SCHEMBL3499467

Cc1ccc(C)c(N2CCN(Cc3nccn3Cc3ccc(C#N)cc3)CC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.51
FNTB P49356 12/20 0.51
PGGT1B P53609 7/20 0.45
NRAS P01111 1/20 0.45
HRAS P01112 1/20 0.45
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
COMT P21964 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL3499593 0.86 FNTA (0.57) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7659750 0.80 FNTA (0.69) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7182161 0.79 FNTA (0.68) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL5891602 0.79 FNTA (0.68) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499312 0.79 FNTA (0.57) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499750 0.76 FNTA (0.54) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7570754 0.75 PLA2G2A (0.47) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499466 0.71 HSD17B10 (0.38) FNTAFNTBHSD17B10
SCHEMBL6220060 0.71 FNTA (0.86) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3500642 0.69 FNTA (0.62) FNTAFNTBPGGT1BNRASHRAS

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-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US 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
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 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 19/4885FNTB 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.