SCHEMBL1542356

SCHEMBL1542356

COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 6/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
ATM Q13315 1/20 0.58
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52

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
SCHEMBL10522559 0.87 CA12 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15168423 0.85 PDK1 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8112293 0.84 L3MBTL1 (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1542395 0.83 PDK1 (0.74) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14155949 0.82 MEN1 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7428282 0.81 MAPT (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10522570 0.81 RAB9A (0.57) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL5546903 0.80 PDK1 (0.71) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL434636 0.79 CA12 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20548265 0.79 MEN1 (0.66) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 MEN1 4155/4885KMT2A 2766/4885MAPT 4150/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B MEN1 4639/4885KMT2A 2398/4885MAPT 4356/4885

“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.