SCHEMBL5218290

SCHEMBL5218290

COC=Cc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.36
KDR P35968 3/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MMP1 P03956 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5218282 1.00 FGFR1 (0.36) FGFR1KDRL3MBTL1JAK2NPC1
SCHEMBL247076 0.88 L3MBTL1 (0.39) FGFR1KDRL3MBTL1JAK2NPC1
SCHEMBL247864 0.85 AKR1B10 (0.36) FGFR1KDRL3MBTL1JAK2NPC1
SCHEMBL5372256 0.80 L3MBTL1 (0.38) FGFR1KDRL3MBTL1JAK2NPC1
SCHEMBL5221193 0.78 TDP1 (0.39) L3MBTL1TDP1MEN1KMT2A
SCHEMBL5350756 0.76 MMP3 (0.35) FGFR1KDRL3MBTL1JAK2MMP3
SCHEMBL5374444 0.75 L3MBTL1 (0.46) FGFR1KDRL3MBTL1JAK2
SCHEMBL3330314 0.68 ATM (0.39) L3MBTL1NPC1RAB9ALMNAMAPT
SCHEMBL3330309 0.68 ATM (0.39) L3MBTL1NPC1RAB9ALMNAMAPT
SCHEMBL5221993 0.68 MEN1 (0.42) L3MBTL1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
WO-2007116265-A1 PROCESS FOR MAKING A TETRAHYDRO-PYRIDOAZEPIN-8-ONE COMPOUND PFIZER PRODUCTS INC. (US) 2007-10-18 WO disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 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 (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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 FGFR1 2384/4885KDR 4653/4885L3MBTL1 4325/4885

“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.