SCHEMBL448443

SCHEMBL448443

N#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccc3)c(=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.54
FNTB P49356 11/20 0.54
PGGT1B P53609 6/20 0.53
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
NRAS P01111 1/20 0.48
HRAS P01112 1/20 0.48

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
SCHEMBL3501862 0.90 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8112632 0.89 CYP11B1 (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8106993 0.88 CYP11B1 (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8114048 0.87 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8107070 0.86 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL446009 0.85 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8098833 0.84 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8114057 0.84 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8101562 0.83 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8108625 0.82 CYP11B1 (0.47) 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 415 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US claimed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US claimed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US claimed
US-6989383-B1 Method of treating cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-01-24 US claimed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
US-20050137207-A1 Method of treating cancer ROSEN NEAL (US) 2005-06-23 US claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US claimed
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US claimed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP claimed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP claimed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO claimed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO claimed
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT JENNINGS BARBARA BROOKE (US) 2026-01-01 US disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 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 (6 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-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 FNTA 3317/4885FNTB 1753/4885PGGT1B 715/4885
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT PDK1, IP6K1, IP6K3 FNTA 3572/4885FNTB 2992/4885PGGT1B 3876/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 FNTA 3317/4885FNTB 1753/4885PGGT1B 715/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN FNTA 12/4885FNTB 44/4885PGGT1B 1996/4885
US-20050137207-A1 Method of treating cancer FNTA, GGT1, NTPCR FNTA 1/4885FNTB 12/4885PGGT1B 258/4885

“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.