SCHEMBL4200280

SCHEMBL4200280

O=[C]c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.50
PTPN5 P54829 1/20 0.50
BACE1 P56817 2/20 0.43
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.38
CHUK O15111 1/20 0.38
TXNRD1 Q16881 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
JAK2 O60674 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL6561038 0.81 PTPN5 (0.67) KIF11PTPN5ALDH1A1TSHRKDM4E
SCHEMBL27799156 0.81 PTPN5 (0.43) KIF11PTPN5ALDH1A1KDM4EMAPT
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11BACE1MAOBALDH1A1TSHR
SCHEMBL6638725 0.79 KIF11 (0.47) KIF11PTPN5BACE1ALDH1A1TSHR
SCHEMBL2795998 0.79 PTGS2 (0.47) PTPN5MAOBALDH1A1MAPTESR2
SCHEMBL57735 0.78 ALDH1A1 (0.42) BACE1ALDH1A1HSD17B10ESR2TDP1
SCHEMBL8025255 0.78 KIF11 (0.65) KIF11BACE1MAOBALDH1A1TSHR
SCHEMBL6676673 0.76 KDM1A (0.41) KIF11BACE1MAPT
SCHEMBL224641 0.76 CASP3 (0.42) BACE1ALDH1A1HSD17B10MAPTESR2
SCHEMBL11310344 0.76 KIF11 (0.77) KIF11PTPN5BACE1MAOBALDH1A1

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
US-7482368-B2 Triamide-substituted heterobicyclic compounds PFIZER INC (US) 2009-01-27 US disclosed
EP-1404653-B1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PROD INC (US) 2008-08-20 EP disclosed
US-7348355-B2 Treating obesity with the Microsomal triglyceride transfer protein inhibitor (S) N-{2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxamide and another lipid lowering agent such as a statin or fibrate PFIZER INC. (US) 2008-03-25 US disclosed
US-20060194772-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2006-08-31 US disclosed
US-20050288335-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-12-29 US disclosed
US-6979692-B2 such as (S)-1-ethyl-5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]amide; for treatment of obesity and lipid disorders; diabetes PFIZER INC. (US) 2005-12-27 US disclosed
US-6949572-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2005-09-27 US disclosed
US-20050080108-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-04-14 US disclosed
US-20040087625-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2004-05-06 US disclosed
US-6720351-B2 1H-INDOLE-2-CARBOXYLIC ACID (2-(BENZYL(METHYL)AMINO) -2-OXO-1-PHENYLETHYL)AMIDES; TRIAMIDE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) INHIBITORS; OBESITY; ANTILIPEMIC AGENTS PFIZER INC. 2004-04-13 US disclosed
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 WO disclosed
EP-0902785-B1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER (US) 2002-09-04 EP disclosed
US-5998623-A Process and intermediates for preparing 4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2H-[1,2,4]triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-a mide PFIZER INC. (US) 1999-12-07 US disclosed
EP-0902785-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1999-03-24 EP disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 WO disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 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 (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-20060194772-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP KIF11 4629/4885PTPN5 809/4885BACE1 1488/4885
US-20040087625-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP KIF11 4628/4885PTPN5 938/4885BACE1 643/4885
US-20050288335-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP KIF11 4629/4885PTPN5 809/4885BACE1 1488/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP KIF11 4628/4885PTPN5 938/4885BACE1 643/4885
US-20050080108-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP KIF11 4674/4885PTPN5 741/4885BACE1 1293/4885

“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.