SCHEMBL440116

SCHEMBL440116

O=C(O)c1ncc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.40
DHODH Q02127 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
POLB P06746 2/20 0.36
CDH1 P12830 1/20 0.36
APC P25054 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
LMNA P02545 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
SCHEMBL440973 0.87 MRGPRX4 (0.41) L3MBTL1MAPTDHODHMRGPRX4RAB9A
SCHEMBL411963 0.87 KMO (0.47) KMOMAPTMEN1KMT2A
SCHEMBL411484 0.83 KMO (0.47) KMOMAPTPTGDR2RAB9ANPC1
SCHEMBL410512 0.81 MRGPRX4 (0.49) KMODHODHPTGDR2MRGPRX4
SCHEMBL411490 0.80 KMO (0.41) KMODHODH
SCHEMBL439158 0.80 KMO (0.41) KMODHODH
SCHEMBL412103 0.79 KMO (0.55) KMO
SCHEMBL412364 0.77 MAPT (0.42) MAPTKCNH2SCN5ASCN2ASCN10A
SCHEMBL412285 0.76 POLB (0.41) L3MBTL1MAPTMEN1RAB9AKMT2A
SCHEMBL25210699 0.75 KMO (0.55) KMOL3MBTL1DHODHCDH1APC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR KMO 2423/4885L3MBTL1 586/4885MAPT 4619/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR KMO 2423/4885L3MBTL1 586/4885MAPT 4619/4885

“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.