SCHEMBL6925308

SCHEMBL6925308

CC(C)(C)c1cc(C(=O)CBr)n(Cc2ccccc2)n1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.76
SORT1 Q99523 5/20 0.76
NPSR1 Q6W5P4 7/20 0.62
GAA P10253 5/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 3/20 0.60
AGTR1 P30556 1/20 0.60
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL3069753 0.86 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL893061 0.85 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL13219146 0.85 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897360 0.84 GRN (0.80) GRNSORT1NPSR1GAAMAPT
SCHEMBL25346695 0.80 GRN (0.72) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897764 0.80 GRN (0.72) GRNSORT1NPSR1GAAMAPT
SCHEMBL1898164 0.80 NPSR1 (0.89) GRNSORT1NPSR1GAAMAPT
SCHEMBL1902248 0.78 NPSR1 (0.71) GRNSORT1NPSR1GAAMAPT
SCHEMBL1899459 0.77 NPSR1 (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL7739178 0.77 GRN (0.79) GRNSORT1NPSR1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 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 (2 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 GRN 113/4885SORT1 1488/4885NPSR1 309/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 GRN 1045/4885SORT1 1908/4885NPSR1 410/4885

“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.