SCHEMBL3573178

SCHEMBL3573178

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.61
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
CDK8 P49336 1/20 0.55
NAMPT P43490 2/20 0.54
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL3233030 0.85 NAMPT (0.64) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL3576445 0.83 NAMPT (0.68) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13210645 0.82 ROCK2 (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30969954 0.81 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2129716 0.81 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11626058 0.81 VNN1 (0.67) KMT2AMEN1NPC1GAATSHR
SCHEMBL5214415 0.80 NAMPT (0.54) KMT2AMEN1GAATRPV1CDK8
SCHEMBL3243689 0.80 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
Hydrochloric Acid SCHEMBL11627866 0.80 VNN1 (0.65) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL3386390 0.80 NAMPT (0.59) KMT2AMEN1NPC1RAB9AGAA

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 KMT2A 341/4885MEN1 1293/4885NPC1 3237/4885

“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.