SCHEMBL5068509

SCHEMBL5068509

CCOC(=O)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.75
CA2 P00918 2/20 0.75
SMN1; SMN2 Q16637 4/20 0.73
MAPT P10636 6/20 0.71
RAB9A P51151 6/20 0.71
ALDH1A1 P00352 5/20 0.71
NPC1 O15118 5/20 0.71
NAMPT P43490 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
GAA P10253 2/20 0.62
LMNA P02545 2/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPK1 P28482 2/20 0.58
SENP1 Q9P0U3 1/20 0.58
ALOX12 P18054 1/20 0.57
HDAC3 O15379 1/20 0.57

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
SCHEMBL27996234 0.94 SMN1; SMN2 (0.73) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11256877 0.92 MAPT (0.68) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11240039 0.90 MAPT (0.73) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11255125 0.89 MAPT (0.64) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL4051167 0.88 MAPT (0.75) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11235432 0.88 MAPT (0.75) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11246529 0.87 CA1 (0.76) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL16585699 0.86 CA1 (0.72) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL18415526 0.86 CA1 (1.00) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL11247013 0.85 MAPT (0.71) CA1CA2SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
WO-2010130638-A1 SULFONAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2010-11-18 WO disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
CN-100345853-C Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2007-10-31 CN disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4350822-A Antilipidemicpara-[aryl(alkyl or alkenyl)amino]benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-21 US disclosed
US-4246275-A Antilipidemic para-[thienyl and furyl (alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1981-01-20 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 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 (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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CA1 144/4885CA2 212/4885SMN1; SMN2 3768/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CA1 144/4885CA2 212/4885SMN1; SMN2 3768/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CA1 144/4885CA2 212/4885SMN1; SMN2 3768/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 CA1 3575/4885CA2 533/4885SMN1; SMN2 1291/4885

“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.