SCHEMBL2843458

SCHEMBL2843458

NC(=O)CCCCNC(=O)[CH]c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.54
HDAC4 P56524 9/20 0.54
HDAC1 Q13547 9/20 0.54
HDAC7 Q8WUI4 9/20 0.54
HDAC2 Q92769 9/20 0.54
HDAC10 Q969S8 9/20 0.54
HDAC11 Q96DB2 9/20 0.54
HDAC8 Q9BY41 9/20 0.54
HDAC6 Q9UBN7 9/20 0.54
HDAC9 Q9UKV0 9/20 0.54
HDAC5 Q9UQL6 9/20 0.54
KMT2A Q03164 1/20 0.53
EGFR P00533 1/20 0.49
TGM2 P21980 1/20 0.43
MMP1 P03956 1/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
RECQL P46063 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL4982667 0.98 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4986397 0.95 KMT2A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4201387 0.90 KMT2A (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4982138 0.84 KMT2A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5011517 0.82 EGFR (0.70) HDAC3KMT2AEGFR
SCHEMBL6726303 0.81 EGFR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5485829 0.81 EGFR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4203722 0.80 HTT (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4984429 0.79 KMT2A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5664191 0.78 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008072061-A1 METHOD OF TREATMENT OF OBESITY WITH AN MTP INHIBITOR IN CONJUNCTION WITH AN INCREASED-FAT DIET PFIZER PRODUCTS INC. (US) 2008-06-19 WO claimed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US claimed
EP-1890767-A2 COMBINATION OF A CANNABINOID-1- RECEPTOR-ANTAGONIST AND A MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITOR FOR TREATING OBESITY OR MAINATAINING WEIGHT LOSS Pfizer Products Inc. (US) 2008-02-27 EP claimed
WO-2006129193-A2 COMBINATION OF A CANNABINOID-1- RECEPTOR-ANTAGONIST AND A MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITOR FOR TREATING OBESITY OR MAINATAINING WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2006-12-07 WO claimed
US-20060270655-A1 Combination therapy for treating obesity or maintaining weight loss SWICK ANDREW G 2006-11-30 US claimed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP claimed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US claimed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US claimed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US claimed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US claimed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP claimed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP 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-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP HDAC3 1726/4885HDAC4 3885/4885HDAC1 2660/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN HDAC3 2539/4885HDAC4 3494/4885HDAC1 1975/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 HDAC3 1489/4885HDAC4 2498/4885HDAC1 781/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 HDAC3 255/4885HDAC4 229/4885HDAC1 299/4885

“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.