SCHEMBL347381

SCHEMBL347381

CCC(C(N)=O)n1c(=O)ccc2cccc(Br)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 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
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HTT P42858 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PARP1 P09874 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR1A P08908 2/20 0.30

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
SCHEMBL346784 0.84 MAPT (0.35) LMNACA12CA1CA2CA3
SCHEMBL346818 0.74 HTR2A (0.41) LMNACA12CA1CA2CA3
SCHEMBL346879 0.71 CSNK2A2 (0.38) LMNACA12CA9CYP1B1ALDH1A1
SCHEMBL2800552 0.70 HTR6 (0.39) CA12CA1CA2CA3CA4
SCHEMBL346137 0.68 HTR2A (0.41) LMNACA12CA1CA2CA3
SCHEMBL11274030 0.67 BRPF1 (0.50) CA12CA9CYP1B1HTR1ADRD2
SCHEMBL27830151 0.63 POLB (0.49) LMNACA12CA1CA2CA3
SCHEMBL563783 0.61 BRD4 (0.54) LMNACA12CA1CA2CA3
SCHEMBL26605925 0.60 CDK4 (0.37) LMNACA12CA9HTTPARP1
SCHEMBL13270139 0.59 AKR1C3 (0.36) LMNAALDH1A1HTR1A

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
US-20120015977-A1 QUINOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2012-01-19 US 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 LMNA 3197/4885CA12 3208/4885CA1 1760/4885

“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.