SCHEMBL4489307

SCHEMBL4489307

COc1cc(CN2C(=O)CCc3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
DRD4 P21917 8/20 0.49
DRD3 P35462 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.43
ABCB1 P08183 2/20 0.41
P2RX7 Q99572 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC2A1 P11166 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4475770 0.85 DRD2 (0.55) DRD2DRD4DRD3POLB
SCHEMBL4477967 0.83 MEN1 (0.53) DRD2DRD4DRD3SMN1; SMN2POLB
SCHEMBL13960709 0.81 DRD2 (0.50) DRD2DRD4DRD3POLB
SCHEMBL4464670 0.81 POLB (0.51) DRD2DRD4DRD3POLBMEN1
SCHEMBL4475776 0.75 L3MBTL1 (0.46) SMN1; SMN2LMNAMAPTSLC2A1
SCHEMBL13960710 0.74 POLB (0.58) DRD2DRD4DRD3SMN1; SMN2POLB
SCHEMBL18464819 0.73 HDAC6 (0.55) DRD2DRD4SMN1; SMN2LMNAMAPT
SCHEMBL1295049 0.73 POLB (0.48) POLBHDAC1HDAC6
SCHEMBL30806382 0.73 POLB (0.66) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL31630938 0.73 MAPT (0.50) SMN1; SMN2LMNAMAPTABCB1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 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-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 DRD2 1307/4885DRD4 893/4885DRD3 1231/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR DRD2 720/4885DRD4 555/4885DRD3 901/4885

“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.