SCHEMBL12804161

SCHEMBL12804161

Cc1cc(C(=O)NCc2ccc3c(ccn3C(F)F)c2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
USP2 O75604 1/20 0.47
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 10/20 0.41
MEN1 O00255 7/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 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
SCHEMBL12804157 0.84 PPARG (0.38) POLBCHRNA7KMT2AMEN1MAPT
SCHEMBL12804195 0.83 POLB (0.47) POLBUSP2CHRNA7NPC1RAB9A
SCHEMBL12803704 0.83 MEN1 (0.48) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12803388 0.77 MEN1 (0.49) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12804070 0.76 MEN1 (0.50) POLBUSP2KMT2AMEN1MAPT
SCHEMBL12804283 0.74 MAPT (0.49) POLBUSP2CHRNA7NPC1RAB9A
SCHEMBL12803462 0.72 POLB (0.55) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12804249 0.72 MAPT (0.66) POLBUSP2NPC1RAB9AKMT2A
SCHEMBL12804094 0.71 KLKB1 (0.42) CHRNA7SMN1; SMN2
SCHEMBL12803451 0.70 MAPT (0.49) POLBUSP2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US claimed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO claimed
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
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 3655/4885CHRNA7 2/4885

“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.