SCHEMBL6428351

SCHEMBL6428351

CNP(=O)(NC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
ESR1 P03372 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CFTR P13569 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10530855 0.83 ALDH1A1 (0.42) CA2CA4CA5AESR1LMNA
SCHEMBL9617518 0.79 CA2 (0.52) CA2CA4CA5AESR1LMNA
SCHEMBL22873312 0.75 HPGD (0.31) LMNATSHR
SCHEMBL10534669 0.75 CA12 (0.40) CA2CA4CA5ALMNAALDH1A1
SCHEMBL10534613 0.73 LMNA (0.52) CA2CA4CA5ALMNAALDH1A1
SCHEMBL13043277 0.72 KDM4E (0.48) CA2CA4CA5ALMNAALDH1A1
SCHEMBL15256343 0.72 TSHR (0.47) CA2CA4CA5AESR1LMNA
SCHEMBL115791 0.71 ESR1 (0.71) CA2CA4CA5AESR1ALDH1A1
SCHEMBL25435946 0.69 ESR1 (0.68) CA2CA4CA5AESR1ALDH1A1
SCHEMBL31247 0.69 ESR1 (0.54) CA2CA4CA5AESR1ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 US disclosed
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030080320-A1 Alpha- haloenamine reagents PHARMACIA CORPORATION 2003-05-01 US disclosed
WO-2003020684-A1 (ALPHA)-HALOENAMINE REAGENTS PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed
US-4804655-A Pesticidal cyclic malonylphosphonic diamides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4739090-A REACTING PHOSPHOROUS TRICHLORIDE, PENTAERYTHRITOL, AND ALKYL PHENOL IN PRESENCE OF CATALYST ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4492661-A Process for producing triarylphosphites CIBA-GEIGY CORPORATION (US) 1985-01-08 US disclosed
US-4440696-A FROM A PHENOL AND PHOSPHORUS TRIHALIDE, AMINE OR AMIDE CATALYST CIBA-GEIGY CORPORATION (US) 1984-04-03 US disclosed
US-4312818-A CATALYZED REACTION OF A PHENOL WITH A PHOSPHORUS HALIDE CIBA-GEIGY CORPORATION (US) 1982-01-26 US disclosed
EP-0000757-B1 PROCESS FOR THE PREPARATION OF TRIARYLPHOSPHITES CIBA-GEIGY AG (CH) 1981-08-05 EP disclosed
US-4251469-A ADDITIVES FOR EXTREME PRESSURE LUBRICANTS CIBA-GEIGY CORPORATION (US) 1981-02-17 US disclosed
US-4197209-A Lubricant compositions containing sulfur-containing esters of phosphoric acid CIBA-GEIGY CORPORATION (US) 1980-04-08 US disclosed
US-4189453-A FROM MERCAPTANS AND PHOSPHORUS TRIHALIDE, CATALYTIC CIBA-GEIGY CORPORATION (US) 1980-02-19 US disclosed
EP-0000757-A1 Process for the preparation of triarylphosphites CIBA-GEIGY AG (CH) 1979-02-21 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 (2 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-20030080320-A1 Alpha- haloenamine reagents HNMT, HDHD5, NISCH CA2 943/4885CA4 985/4885CA5A 2308/4885
US-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH CA2 943/4885CA4 985/4885CA5A 2308/4885

“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.