SCHEMBL295584

SCHEMBL295584

N#CCc1ccc(CF)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
TNF P01375 1/20 0.33
GAA P10253 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FLT3 P36888 1/20 0.32
MMP3 P08254 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM2 Q14416 1/20 0.32
ATM Q13315 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL3673652 0.86 KMT2A (0.44) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL30117237 0.86 KMT2A (0.44) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL16682862 0.81 KMT2A (0.37) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL11940510 0.81 KMT2A (0.37) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL7452982 0.76 CYP11B2 (0.42) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL25297947 0.75 KMT2A (0.37) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL12763633 0.74 HRH3 (0.50) KMT2AMEN1MAPTL3MBTL1KDM4E
SCHEMBL12927610 0.74 LOXL2 (0.40) GRM2
SCHEMBL11940512 0.73 MEN1 (0.41) KMT2AMEN1MAPTL3MBTL1TNF
SCHEMBL29579591 0.73 RAB9A (0.44) KMT2AMEN1MAPTL3MBTL1GAA

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-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KMT2A 762/4885MEN1 1019/4885MAPT 2689/4885

“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.