SCHEMBL665533

SCHEMBL665533

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
HTT P42858 2/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 2/20 0.61
NTRK1 P04629 1/20 0.60
CDK19 Q9BWU1 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GRIK1 P39086 3/20 0.57
TRPV1 Q8NER1 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL30413950 1.00 KDR (0.67) KDRKMT2AMAPTMEN1HTT
SCHEMBL12443228 0.89 MAPT (0.74) KDRKMT2AMAPTMEN1HTT
SCHEMBL4556067 0.88 KDR (0.75) KDRKMT2AMEN1HTTRAB9A
SCHEMBL3672232 0.86 NTRK1 (0.70) KDRKMT2AMAPTMEN1HTT
SCHEMBL5597699 0.85 KMT2A (0.90) KDRKMT2AMAPTMEN1HTT
SCHEMBL30101230 0.85 KMT2A (0.90) KDRKMT2AMAPTMEN1HTT
SCHEMBL3692790 0.84 KDR (0.73) KDRKMT2AMAPTMEN1HTT
SCHEMBL14601707 0.84 KMT2A (0.77) KDRKMT2AMAPTMEN1HTT
SCHEMBL5504593 0.84 MAPT (0.66) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL13202441 0.84 MAPT (0.70) KMT2AMAPTMEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405644-A BICARBOCYCLIC ARYL UREA OR THIOUREA COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US claimed
US-10420781-B2 Thyroid hormone receptor agonist and use thereof METABASIS THERAPEUTICS INC. (US) 2019-09-24 US disclosed
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS INC. 2018-12-06 US disclosed
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. 2017-11-09 US disclosed
US-8262634-B1 Absorbent article having barrier sheet against the migration of the skin care composition THE PROCTER & GAMBLE COMPANY (US) 2012-09-11 US disclosed
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
WO-2011038207-A1 PHOSPHORUS-CONTAINING THYROID HORMONE RECEPTOR AGONISTS AND METHODS OF USE METABASIS THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090232879-A1 Thyromimetics for the Treatment of Fatty Liver Diseases METABASIS THERAPEUTICS, INC. (US) 2009-09-17 US disclosed
US-20060029567-A1 Material for odor control BKI HOLDING CORPORATION (US) 2006-02-09 US disclosed
US-20050075377-A1 PPAR compounds PFIZER INC 2005-04-07 US disclosed
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PFIZER INC. 2004-12-09 US disclosed
US-6703536-B2 ENZYME INHIBITOR IS TRANSFERRED TO SKIN WITH SKIN CARE COMPOSITION AND IS AVAILABLE AT SKIN/URINE AND SKIN/FECES INTERFACES TO INHIBIT ENZYMATIC ACTIVITY ON SKIN AND TO REDUCE OR PREVENT OCCURRENCE OF INFLAMMATION THE PROCTER & GAMBLE COMPANY 2004-03-09 US disclosed
US-6699904-B2 PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR (PPAR) AGONISTS; ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS; FOR EXAMPLE, 3-(4-(2-(3-(2,4-DIMETHOXY-PHENYL)-1-HEPTYL-UREIDO)-ETHYL)-PHENYL)-2-ETHOXY -PROPIONIC ACID PFIZER INC. 2004-03-02 US disclosed
US-20030139711-A1 Disposable absorbent article having a skin care composition containing an enzyme inhibitor THE PROCTER & GAMBLE COMPANY 2003-07-24 US disclosed
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid HAYWARD CHERYL M (US) 2002-11-07 US disclosed
EP-1061962-A1 DISPOSABLE ABSORBENT ARTICLE HAVING A SKIN CARE COMPOSITION CONTAINING AN ENZYME INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 2000-12-27 EP disclosed
WO-1999045973-A1 DISPOSABLE ABSORBENT ARTICLE HAVING A SKIN CARE COMPOSITION CONTAINING AN ENZYME INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 1999-09-16 WO disclosed
US-5643874-A ANTIOBESITY AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-07-01 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 (9 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-10420781-B2 Thyroid hormone receptor agonist and use thereof THRB, THRA, TSHR KDR 824/4885KMT2A 2948/4885MAPT 1781/4885
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid PPARA, PPARG, PPARD KDR 658/4885KMT2A 3747/4885MAPT 2892/4885
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 KDR 3982/4885KMT2A 4004/4885MAPT 3512/4885
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use THRB, TSHR, THRA KDR 3097/4885KMT2A 3382/4885MAPT 4733/4885
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR KDR 824/4885KMT2A 2948/4885MAPT 1781/4885
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR KDR 824/4885KMT2A 2948/4885MAPT 1781/4885
US-20090232879-A1 Thyromimetics for the Treatment of Fatty Liver Diseases TSHR, THRA, FABP1 KDR 2841/4885KMT2A 2797/4885MAPT 4318/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD KDR 910/4885KMT2A 3388/4885MAPT 2750/4885
US-20040248934-A1 Tetrahydroisoquinoline derivatives as PPAR-alpha activators PPARA, PPARG, PPARD KDR 1226/4885KMT2A 2154/4885MAPT 2901/4885

“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.