SCHEMBL3077463

SCHEMBL3077463

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 4/20 0.54
RAB9A P51151 3/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL3067629 0.89 GAA (0.49) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL3074720 0.89 TSHR (0.49) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL4599192 0.82 TSHR (0.44) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL3067393 0.82 GAA (0.47) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL3078730 0.82 KMT2A (0.44) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL3069707 0.82 GAA (0.47) KMT2AMEN1RAB9ARECQLMAPK1
SCHEMBL4599063 0.76 TSHR (0.43) KMT2AMEN1RAB9AMAPK1TSHR
SCHEMBL4599609 0.76 TSHR (0.43) KMT2AMEN1RAB9AMAPK1TSHR
SCHEMBL3075235 0.76 TSHR (0.54) KMT2AMEN1RAB9AMAPK1TSHR
SCHEMBL3067877 0.74 ATM (0.59) KMT2AMEN1RAB9AMAPK1TSHR

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 6 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
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

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 KMT2A 3199/4885MEN1 3594/4885RAB9A 3399/4885
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides CBR3, HDHD5, CYP8B1 KMT2A 1434/4885MEN1 3551/4885RAB9A 3663/4885

“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.