SCHEMBL4053644

SCHEMBL4053644

O=C(O)C1CC(F)CC1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PTK2 Q05397 1/20 0.49
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 5/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 3/20 0.44
DEGS1 O15121 1/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL1031612 1.00 L3MBTL1 (0.51) L3MBTL1NPSR1KMT2AMEN1PTK2
SCHEMBL1029766 1.00 L3MBTL1 (0.51) L3MBTL1NPSR1KMT2AMEN1PTK2
SCHEMBL1030531 0.92 L3MBTL1 (0.57) L3MBTL1NPSR1KMT2AMEN1PTK2
SCHEMBL4051684 0.83 MAPT (0.50) L3MBTL1NPSR1PTK2ALDH1A1RAB9A
SCHEMBL1030587 0.83 MAPT (0.50) L3MBTL1NPSR1PTK2ALDH1A1RAB9A
SCHEMBL1030789 0.83 MAPT (0.50) L3MBTL1NPSR1PTK2ALDH1A1RAB9A
SCHEMBL1029685 0.79 RAB9A (0.64) NPSR1ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL13678864 0.75 DEGS1 (0.66) L3MBTL1NPSR1KMT2AMEN1PTK2
SCHEMBL1029183 0.74 F10 (0.57)
SCHEMBL1029728 0.73 F10 (0.81)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 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 (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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI L3MBTL1 4707/4885NPSR1 1868/4885KMT2A 2602/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI L3MBTL1 4707/4885NPSR1 1868/4885KMT2A 2602/4885

“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.