SCHEMBL12804248

SCHEMBL12804248

Cc1cc(C(=O)NCc2ccc3[nH]cc(C)c3c2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
USP2 O75604 1/20 0.51
KLKB1 P03952 2/20 0.46
MAP4K1 Q92918 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
NHERF1 O14745 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
ALPG P10696 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12804151 0.81 POLB (0.51) POLBUSP2KLKB1NPC1RAB9A
SCHEMBL12803462 0.80 POLB (0.55) POLBUSP2KLKB1NPC1RAB9A
SCHEMBL23704292 0.80 IGF1R (0.45) KLKB1MAP4K1KMT2AMEN1NHERF1
SCHEMBL7309471 0.79 KDM4E (0.56) KLKB1MAP4K1RAB9AKMT2AMEN1
SCHEMBL12804249 0.78 MAPT (0.66) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12803655 0.74 MAPT (0.58) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12803451 0.73 MAPT (0.49) POLBUSP2KLKB1NPC1RAB9A
SCHEMBL12804283 0.73 MAPT (0.49) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL29993523 0.72 L3MBTL1 (0.47) KLKB1MAP4K1KMT2AGAAMEN1
SCHEMBL15730129 0.72 L3MBTL1 (0.47) KLKB1MAP4K1KMT2AGAAMEN1

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
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO claimed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US claimed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 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 (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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 POLB 3799/4885USP2 3655/4885KLKB1 3278/4885

“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.