SCHEMBL4486014

SCHEMBL4486014

O=C1CCc2ccccc2N1Cc1cc(Cl)cc(N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD2 P14416 9/20 0.53
DRD4 P21917 9/20 0.53
DRD3 P35462 9/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM5 P08912 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL4493695 0.89 HDAC1 (0.54) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4492877 0.88 POLB (0.53) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4483596 0.88 POLB (0.53) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4468502 0.86 POLB (0.60) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4464670 0.86 POLB (0.51) POLBDRD2DRD4DRD3MEN1
SCHEMBL4558610 0.85 POLB (0.50) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4693306 0.85 ADRB1 (0.44) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4480619 0.84 POLB (0.49) POLBGAADRD2DRD4DRD3
SCHEMBL4490934 0.82 POLB (0.46) POLBSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL4483075 0.81 DRD2 (0.54) POLBSMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US claimed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 US claimed
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
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-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 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
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO 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 POLB 2944/4885SMN1; SMN2 3996/4885CYP1A2 39/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR POLB 3102/4885SMN1; SMN2 3556/4885CYP1A2 38/4885

“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.