SCHEMBL3075235

SCHEMBL3075235

Cc1ncccc1C(=O)Nc1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 1/20 0.46
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL3078899 0.87 TSHR (0.53) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3066338 0.86 GAA (0.54) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3077493 0.86 TSHR (0.49) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3073557 0.80 TDP1 (0.51) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3067877 0.80 ATM (0.59) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3066298 0.80 TDP1 (0.51) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3077463 0.76 KMT2A (0.54) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL68046 0.74 TSHR (0.49) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL29469563 0.74 LMNA (0.53) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL69473 0.74 LMNA (0.53) TSHRMAPK1KMT2AMEN1ALDH1A1

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 10 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-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

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.