SCHEMBL5605032

SCHEMBL5605032

FC(F)(F)c1cccc(NCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HPGD P15428 2/20 0.62
RXFP1 Q9HBX9 2/20 0.61
SLC2A1 P11166 1/20 0.60
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX12 P18054 1/20 0.58
BLM P54132 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
RAB9A P51151 1/20 0.53
IDH2 P48735 1/20 0.53
VNN1 O95497 1/20 0.52
MAOB P27338 1/20 0.52
APP P05067 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
SCHEMBL10055021 0.93 NPSR1 (0.55) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL4242744 0.90 FFAR1 (0.66) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL11935968 0.85 MAPT (0.49) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL20067943 0.84 TSHR (0.56) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL20236127 0.84 PPARA (0.62) MAPTMEN1KMT2ARXFP1HTT
Ammonia Solution, Strong SCHEMBL6691468 0.83 LMNA (0.50) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL12957071 0.83 HTT (0.49) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL30679029 0.83 HTT (0.49) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL5180466 0.82 FFAR1 (0.54) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL10558040 0.82 KIF11 (0.62) MAPTMEN1KMT2AALDH1A1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440121-A Ruthenium complex, synthesis method and application 西湖大学 2024-08-06 CN disclosed
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
CN-106631820-A Method for preparing aromatic amine compounds 中国药科大学 2017-05-10 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
CN-101774874-B N-arylating method using pyrrole-2-hydrazide compound as ligand in aqueous phase system UNIV SUN YAT SEN 2013-05-29 CN disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN 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-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
CN-1051074-C Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use HOECHST AG (DE) 2000-04-05 CN disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed
US-4319913-A Substituted benzazaphospholes, herbicidal compositions and the use thereof MONSANTO COMPANY (US) 1982-03-16 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 (3 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MAPT 2654/4885MEN1 4655/4885KMT2A 435/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MAPT 2654/4885MEN1 4655/4885KMT2A 435/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 MAPT 1200/4885MEN1 388/4885KMT2A 1774/4885

“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.