SCHEMBL12804102

SCHEMBL12804102

COc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)on1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
HTT P42858 2/20 0.63
MAPT P10636 9/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
PABPC1 P11940 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
PKM P14618 2/20 0.61
GAA P10253 4/20 0.60
USP2 O75604 1/20 0.60
KDM4E B2RXH2 4/20 0.58
HPGD P15428 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 5/20 0.53
ALOX15 P16050 1/20 0.52
POLB P06746 3/20 0.51
HSP90AA1 P07900 1/20 0.50

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 0.86 MAPT (0.66) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803954 0.85 MAPT (0.59) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803952 0.83 MAPT (0.61) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803555 0.81 MAPT (0.59) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803655 0.80 MAPT (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803813 0.80 MAPT (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12804178 0.80 ALDH1A1 (0.63) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12804192 0.80 ALDH1A1 (0.63) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12804170 0.80 MAPT (0.66) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12803561 0.79 ACACB (0.46) ALDH1A1HTTMAPTMEN1KMT2A

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
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
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
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 ALDH1A1 3647/4885HTT 1299/4885MAPT 734/4885

“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.