SCHEMBL3066338

SCHEMBL3066338

O=C(Nc1ccccc1OC(F)(F)C(F)F)c1cccnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.44
PTBP1 P26599 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL3073557 0.93 TDP1 (0.51) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL3066298 0.93 TDP1 (0.51) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL3078899 0.87 TSHR (0.53) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL3075235 0.86 TSHR (0.54) GAALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL3077493 0.86 TSHR (0.49) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL14880230 0.80 RAB9A (0.63) GAATDP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5263400 0.77 TDP1 (0.53) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL8299753 0.77 TDP1 (0.68) GAATDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL975125 0.76 SMN1; SMN2 (0.68) GAATDP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL29777391 0.76 SMN1; SMN2 (0.68) GAATDP1SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2010-09-02 US claimed
US-20080255107-A1 Fungicidal Mixtures Comprising N-[2-(Haloalk(Enyl)Oxy)Phenyl]Carboxamides BASF SE (DE) 2008-10-16 US claimed
EP-1912497-A1 FUNGICIDAL N-[2-(HALOALKOXY)PHENYL]HETEROARYLCARBOXAMIDES BASF SE (DE) 2008-04-23 EP claimed
EP-1912496-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2008-04-23 EP claimed
WO-2007017449-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2007-02-15 WO claimed
WO-2007017450-A1 FUNGICIDAL N-[2-(HALOALKOXY)PHENYL]HETEROARYLCARBOXAMIDES BASF SE (DE) 2007-02-15 WO claimed
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2010-09-02 US disclosed
US-20080255107-A1 Fungicidal Mixtures Comprising N-[2-(Haloalk(Enyl)Oxy)Phenyl]Carboxamides BASF SE (DE) 2008-10-16 US disclosed
EP-1912497-A1 FUNGICIDAL N-[2-(HALOALKOXY)PHENYL]HETEROARYLCARBOXAMIDES BASF SE (DE) 2008-04-23 EP disclosed
EP-1912496-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007017449-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2007-02-15 WO disclosed
WO-2007017450-A1 FUNGICIDAL N-[2-(HALOALKOXY)PHENYL]HETEROARYLCARBOXAMIDES BASF SE (DE) 2007-02-15 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-20080255107-A1 Fungicidal Mixtures Comprising N-[2-(Haloalk(Enyl)Oxy)Phenyl]Carboxamides CBR3, CBR1, NAT1 GAA 1053/4885TDP1 3119/4885LMNA 2193/4885
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides CBR3, HDHD5, CYP8B1 GAA 3110/4885TDP1 2220/4885LMNA 2652/4885

“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.