SCHEMBL3074720

SCHEMBL3074720

Cc1nc(C(F)F)c(C(=O)Nc2ccccc2OC(F)(F)C(F)F)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
RECQL P46063 1/20 0.40
CISD2 Q8N5K1 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL3078730 0.93 KMT2A (0.44) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3077463 0.89 KMT2A (0.54) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3067629 0.87 GAA (0.49) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL4599609 0.83 TSHR (0.43) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL12903702 0.81 HTT (0.51) MAPK1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2911307 0.80 RAB9A (0.46) MAPK1KMT2AMEN1RAB9ANPC1
SCHEMBL3067393 0.80 GAA (0.47) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL3069707 0.80 GAA (0.47) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL13210714 0.79 GAA (0.46) TSHRMAPTGAAHTTPOLB
SCHEMBL27833840 0.78 KMT2A (0.42) TSHRKMT2AMEN1RAB9ANPC1

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 4 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
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

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.