SCHEMBL514813

SCHEMBL514813

CC(OC(N)=O)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.36
CASR P41180 1/20 0.36
KCNA5 P22460 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1847342 0.87 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL28880344 0.86 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL28880345 0.86 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL28880523 0.84 SOS1 (0.35) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL28880525 0.84 SOS1 (0.35) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27776753 0.83 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL8595323 0.81 TSHR (0.49) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL27621058 0.80 KDM4E (0.44) SMN1; SMN2MAPK1ALDH1A1LMNAGAA
SCHEMBL6684454 0.80 MAPK1 (0.41) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL15559998 0.78 CXCL8 (0.44) L3MBTL1SMN1; SMN2MAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-114380718-B Acylation method of aniline compound 河南农业大学 2022-09-30 CN disclosed
CN-114380718-A Acylation method of aniline compound 河南农业大学 2022-04-22 CN disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1030846-B1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER CROPSCIENCE AG (DE) 2003-07-16 EP disclosed
US-6476224-B2 N-(4-CYANO-2,5- DIFLUORO-PHENYL) -3-(DIMETHYLAMINOCARBONYLAMINO)-4,4,4-TRIFLUORO-2-BUTENAMIDE AND 1,2-DIMETHOXYETHANE ARE HEATED TO FORM AR(ALK)YL URACIL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
US-20020022727-A1 Method for producing ar(alk)yluraciles, novel corresponding intermediate products and method for producing said intermediate products GALLENKAMP BERND (DE) 2002-02-21 US disclosed
US-6262291-B1 CHEMICAL INTERMEDIATE FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
US-6225470-B1 HEATING SUBSTITUTED AMINOALKENAMIDES IN PRESENCE OF DILUENTS TO PRODUCE AR(ALK)YLURACIL BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
US-6169182-B1 REACTING SUBSTITUTED N-(CYANOPHENYL)AMINOALKENAMIDES WITH CARBONIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
EP-1030846-A1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER AG (DE) 2000-08-30 EP disclosed
WO-1999025698-A1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-27 WO disclosed
EP-0880506-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENYL URACILS FROM SUBSTITUTED AMINOALKENE ACID CYANOPHENYL AMIDES BAYER AG (DE) 1998-12-02 EP disclosed
WO-1997029094-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENYL URACILS FROM SUBSTITUTED AMINOALKENE ACID CYANOPHENYL AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-14 WO 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 L3MBTL1 118/4885SMN1; SMN2 4115/4885MAPK1 1508/4885
US-20020022727-A1 Method for producing ar(alk)yluraciles, novel corresponding intermediate products and method for producing said intermediate products ALK, ALKBH5, ALKBH1 L3MBTL1 2805/4885SMN1; SMN2 3219/4885MAPK1 2792/4885

“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.