SCHEMBL3078730

SCHEMBL3078730

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
RECQL P46063 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3074720 0.93 TSHR (0.49) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL3067393 0.88 GAA (0.47) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL4599859 0.84 RECQL (0.41) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL3077463 0.82 KMT2A (0.54) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL3067629 0.80 GAA (0.49) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL12903702 0.79 HTT (0.51) KMT2ARECQLMAPK1RAB9ANPC1
SCHEMBL2911307 0.78 RAB9A (0.46) KMT2AMEN1RECQLMAPK1RAB9A
SCHEMBL3069707 0.78 GAA (0.47) KMT2AMEN1RECQLTSHRMAPK1
SCHEMBL4599609 0.76 TSHR (0.43) KMT2AMEN1TSHRMAPK1RAB9A
SCHEMBL13210714 0.76 GAA (0.46) TSHRMAPTUSP2POLB

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
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
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 KMT2A 3199/4885MEN1 3594/4885RECQL 1908/4885
US-20100222217-A1 Fungicidal N-[2-(Haloalkoxy)Phenyl]Heteroarylcarboxamides CBR3, HDHD5, CYP8B1 KMT2A 1434/4885MEN1 3551/4885RECQL 2597/4885

“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.