SCHEMBL2974374

SCHEMBL2974374

CC(C)(C)CNC[C@@H](c1ccccc1)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
PKM P14618 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADA P00813 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
BACE1 P56817 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP24A1 Q07973 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL2974379 1.00 BCHE (0.37) BCHEPKMTAAR1ADAKDM4C
SCHEMBL2983258 1.00 BCHE (0.37) BCHEPKMTAAR1ADAKDM4C
SCHEMBL2977666 0.79 BCHE (0.41) BCHEADAKDM4CBACE1CYP24A1
SCHEMBL18516673 0.77 ADA (0.46) PKMTAAR1ADAKDM4CCYP2C9
SCHEMBL21198912 0.71 PKM (0.37) PKMTAAR1ALDH1A1MEN1KMT2A
SCHEMBL2980183 0.70 ALDH1A1 (0.44) PKMTAAR1CYP2C9CYP2C19ALDH1A1
SCHEMBL1796100 0.70 PSEN1 (0.39) PKMTAAR1ALDH1A1
SCHEMBL9146622 0.69 PKM (0.39) PKMTAAR1ADACYP2C9CYP2C19
SCHEMBL2977378 0.67 ADA (0.43) PKMTAAR1ADA
SCHEMBL574245 0.66 ALDH1A1 (0.40) PKMTAAR1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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 (2 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 BCHE 20/4885PKM 1359/4885TAAR1 42/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 BCHE 20/4885PKM 1359/4885TAAR1 42/4885

“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.