SCHEMBL12804283

SCHEMBL12804283

Cc1cc(C(=O)NCc2ccc3[nH]c(C(F)F)cc3c2)on1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PABPC1 P11940 1/20 0.49
POLB P06746 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
CHRNA7 P36544 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12804249 0.85 MAPT (0.66) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12803537 0.84 CHRNA7 (0.47) MAPTMEN1KMT2APABPC1USP2
SCHEMBL12803451 0.83 MAPT (0.49) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12803655 0.82 MAPT (0.58) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12803355 0.81 MAPT (0.47) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12803462 0.79 POLB (0.55) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12804151 0.76 POLB (0.51) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12803952 0.75 MAPT (0.61) MAPTMEN1KMT2APABPC1POLB
SCHEMBL12804161 0.74 POLB (0.47) MAPTMEN1KMT2APOLBUSP2
SCHEMBL12803704 0.74 MEN1 (0.48) MAPTMEN1KMT2APOLBUSP2

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
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO 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
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 MAPT 734/4885MEN1 4133/4885KMT2A 1693/4885

“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.