SCHEMBL7085889

SCHEMBL7085889

N#Cc1cc(F)c(-n2cnc(C(F)(F)F)cc2=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
BCAT2 O15382 6/20 0.34
BCAT1 P54687 6/20 0.34
KDM5B Q9UGL1 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ESR2 Q92731 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL3480560 0.81 CYP11B2 (0.38) TRPV4ESR2CYP11B1CYP11B2KDM1A
SCHEMBL8505383 0.80 PGR (0.37) SCN9A
SCHEMBL9581996 0.78 HCAR1 (0.40) ESR2SCN9A
SCHEMBL9581479 0.77 ESR2 (0.32) KDM5BALPLALPIESR2CYP11B1
SCHEMBL9730727 0.76 KDM5B (0.35) KDM5BALPLALPIESR2ALDH1A1
SCHEMBL7698169 0.75 TRPV4 (0.38) TRPV4BCAT2BCAT1CYP11B1CYP11B2
SCHEMBL9581461 0.73 ALPI (0.34) TRPV4ALPIESR2
SCHEMBL9765847 0.73 GAA (0.39) KDM5BALPLALPIESR2CYP11B1
SCHEMBL8193399 0.72 ALPL (0.39) BCAT2BCAT1ALPLALPICYP11B1
SCHEMBL7694103 0.72 MEN1 (0.40) TRPV4BCAT2BCAT1ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5877121-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US 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
EP-0804424-A1 SUBSTITUTED PYRIMIDINE(THI)ONES BAYER AG (DE) 1997-11-05 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
WO-1996007647-A1 SUBSTITUTED PYRIMIDINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 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 (1 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-20020022727-A1 Method for producing ar(alk)yluraciles, novel corresponding intermediate products and method for producing said intermediate products ALK, ALKBH5, ALKBH1 TRPV4 3652/4885BCAT2 796/4885BCAT1 895/4885

“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.