SCHEMBL3078899

SCHEMBL3078899

O=C(Nc1ccccc1OC(F)(F)C(F)F)c1cccnc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ATR Q13535 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL3077493 0.87 TSHR (0.49) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL3075235 0.87 TSHR (0.54) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL3066338 0.87 GAA (0.54) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL3073557 0.81 TDP1 (0.51) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL3066298 0.81 TDP1 (0.51) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL14095615 0.77 L3MBTL1 (0.66) L3MBTL1ALDH1A1TDP1LMNAMAPT
SCHEMBL14136108 0.76 PTPN1 (0.64) TSHRKMT2AMEN1L3MBTL1RAB9A
SCHEMBL68046 0.75 TSHR (0.49) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL29419112 0.75 TSHR (0.49) TSHRMAPK1KMT2AMEN1L3MBTL1
SCHEMBL4480002 0.74 CYP1A2 (0.64) KMT2AMEN1RAB9ATDP1SMN1; SMN2

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 TSHR 2622/4885MAPK1 3525/4885KMT2A 3199/4885
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides CBR3, HDHD5, CYP8B1 TSHR 1714/4885MAPK1 2297/4885KMT2A 1434/4885

“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.