SCHEMBL346818

SCHEMBL346818

CCC(C(N)=O)n1c(=O)ccc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
EGFR P00533 3/20 0.40
LMNA P02545 2/20 0.37
NTSR1 P30989 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCL1 Q07820 1/20 0.37
NAMPT P43490 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
OXER1 Q8TDS5 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL346137 0.84 HTR2A (0.41) HTR2AHTR2CEGFRLMNAL3MBTL1
SCHEMBL347381 0.74 LMNA (0.35) LMNAL3MBTL1CA12CA1CA2
SCHEMBL345563 0.71 NAMPT (0.46) HTR2AHTR2CNTSR1MCL1NAMPT
SCHEMBL1312181 0.68 HCAR3 (0.49) NAMPTDPP8DPP9DPP7
SCHEMBL1312534 0.68 HCAR3 (0.49) NAMPTDPP8DPP9DPP7
SCHEMBL1313038 0.68 HCAR3 (0.49) NAMPTDPP8DPP9DPP7
SCHEMBL346784 0.68 MAPT (0.35) LMNAL3MBTL1CA12CA1CA2
SCHEMBL3369814 0.68 DPP8 (0.40) HTR2AHTR2CLMNAL3MBTL1DPP8
SCHEMBL2172818 0.67 BRPF1 (0.62) HTR2AHTR2CMCL1NAMPTCA12
SCHEMBL3782243 0.66 NAMPT (0.47) L3MBTL1MCL1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-01-19 US claimed
EP-2387562-A1 Quinolinone derivatives useful for the treatment of cns disorders NeuroSearch A/S (DK) 2011-11-23 EP claimed
WO-2010081900-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO claimed
US-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-01-19 US disclosed
EP-2387562-A1 Quinolinone derivatives useful for the treatment of cns disorders NeuroSearch A/S (DK) 2011-11-23 EP disclosed
WO-2010081900-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 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-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS AQP4, PMP22, CHRNA2 HTR2A 193/4885HTR2C 129/4885EGFR 4761/4885

“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.