SCHEMBL12804153

SCHEMBL12804153

Cn1cc(C(=O)NCc2ccc3[nH]c(C(F)(F)F)cc3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
KLKB1 P03952 3/20 0.47
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.43
PABPC1 P11940 1/20 0.43
METAP2 P50579 1/20 0.42
MET P08581 1/20 0.41

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
SCHEMBL12803974 0.86 KLKB1 (0.50) SMN1; SMN2KLKB1ALDH1A1HTTPKM
SCHEMBL12804241 0.85 ALDH1A1 (0.61) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL12900635 0.82 ALDH1A1 (0.49) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL8002663 0.81 ALDH1A1 (0.45) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL12900663 0.81 ALDH1A1 (0.53) SMN1; SMN2LMNAHPGDALDH1A1MEN1
SCHEMBL12958860 0.80 ALDH1A1 (0.48) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL12932955 0.80 ERCC1 (0.51) SMN1; SMN2LMNAHPGDALDH1A1MEN1
SCHEMBL7996732 0.80 ALDH1A1 (0.44) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL8000039 0.80 POLB (0.46) SMN1; SMN2LMNAHPGDKLKB1ALDH1A1
SCHEMBL7987320 0.79 ITK (0.49) SMN1; SMN2LMNAHPGDALDH1A1MEN1

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
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
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

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 SMN1; SMN2 1671/4885LMNA 3217/4885HPGD 1403/4885

“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.