SCHEMBL14314760

SCHEMBL14314760

COc1ccc(C(=O)N2CC(C)CC(C)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.65
CHRNB4 P30926 2/20 0.65
CHRNA3 P32297 2/20 0.65
CHRNA7 P36544 2/20 0.65
CHRNA4 P43681 2/20 0.65
GAA P10253 2/20 0.64
PLA2G1B P04054 1/20 0.63
ATG4B Q9Y4P1 1/20 0.63
ALDH1A1 P00352 5/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
DRD3 P35462 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10722464 0.88 GAA (0.79) GAAPLA2G1BATG4BALDH1A1HPGD
SCHEMBL3456613 0.84 PLA2G1B (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14314425 0.84 GAA (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30936912 0.83 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15154807 0.83 KMT2A (0.72) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15172191 0.83 HPGD (0.64) GAAPLA2G1BATG4BALDH1A1HPGD
SCHEMBL23389508 0.83 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL279948 0.81 GAA (0.70) GAAPLA2G1BATG4BALDH1A1HPGD
SCHEMBL13504021 0.81 POLB (0.73) GAAALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL17319226 0.80 ALDH1A1 (0.61) GAAPLA2G1BATG4BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
EP-2535059-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) Public University Corporation Yokohama City University (JP) 2012-12-19 EP 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-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) RCOR1, MSI2, RCOR3 CHRNB2 771/4885CHRNB4 936/4885CHRNA3 629/4885

“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.