SCHEMBL3576445

SCHEMBL3576445

O=C(NCCc1cccc(OC(F)(F)F)c1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.68
KMT2A Q03164 5/20 0.65
MEN1 O00255 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 1/20 0.65
TRPV1 Q8NER1 3/20 0.58
MAPK1 P28482 1/20 0.58
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 1/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
EPHX2 P34913 1/20 0.54
CNR1 P21554 1/20 0.53
MAPK14 Q16539 1/20 0.51

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
SCHEMBL3577619 0.86 TRPV1 (0.69) NAMPTKMT2AMEN1NPC1RAB9A
SCHEMBL3573178 0.83 KMT2A (0.69) NAMPTKMT2AMEN1NPC1RAB9A
SCHEMBL165216 0.81 NAMPT (1.00) NAMPTTRPV1HDAC2HDAC8HDAC6
SCHEMBL3391028 0.81 TRPV1 (0.65) NAMPTRAB9ATRPV1ROCK2ROCK1
SCHEMBL166704 0.79 NAMPT (0.76) NAMPTKMT2AMEN1TRPV1HDAC2
SCHEMBL29635768 0.79 NAMPT (0.76) NAMPTKMT2AMEN1TRPV1HDAC2
SCHEMBL30969954 0.78 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2129716 0.78 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6174665 0.78 KMT2A (0.73) NAMPTKMT2AMEN1NPC1RAB9A
SCHEMBL7643257 0.77 CNR1 (0.63) NAMPTTRPV1ROCK2ROCK1EPHX2

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 NAMPT 547/4885KMT2A 341/4885MEN1 1293/4885

“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.