SCHEMBL3583115

SCHEMBL3583115

NN(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.44
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LSS P48449 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
SCHEMBL3571440 0.86 MLYCD (0.48) MLYCDNR1H2NR1H3MEN1KMT2A
SCHEMBL3582622 0.85 MLYCD (0.48) MLYCDCYP1A2CYP3A4NR1H2NR1H3
SCHEMBL3576345 0.81 MLYCD (0.44) MLYCDSLC2A1KDM4ENR1H2NR1H3
SCHEMBL3577181 0.77 MEN1 (0.55) MLYCDMEN1KMT2ALSS
SCHEMBL3586090 0.75 MLYCD (0.48) MLYCDNR1H2NR1H3MEN1KMT2A
SCHEMBL15110621 0.70 LSS (0.48) MEN1KMT2ALSS
SCHEMBL13006688 0.69 MMP13 (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL27854800 0.68 KDM4E (0.47) MLYCDKDM4EMPOCYP1A2CYP3A4
SCHEMBL3586289 0.67 MLYCD (0.48) MLYCDCYP1A2CYP3A4PLOD2PLOD3
SCHEMBL45807 0.67 KMT2A (0.47) MLYCDKDM4ECYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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 (1 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC MLYCD 1946/4885SLC2A1 2466/4885KDM4E 1828/4885

“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.