SCHEMBL2664899

SCHEMBL2664899

CN(C)C(=O)c1ccc(Br)c[n+]1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
NCEH1 Q6PIU2 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL643137 0.80 ALDH1A1 (0.41) ALDH1A1LMNARECQLRAB9AMAPT
SCHEMBL29085887 0.76 KDM4E (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ACES2
SCHEMBL642860 0.67 ALDH1A1 (0.59) ALDH1A1LMNARECQLRAB9AMAPT
SCHEMBL6606973 0.63 ALDH1A1 (0.53) ALDH1A1LMNARECQLRAB9AMAPT
SCHEMBL2961818 0.62 SLC6A3 (0.38) ALDH1A1LMNARECQLRAB9AMAPT
SCHEMBL132169 0.60 ALDH1A1 (0.61) ALDH1A1LMNARECQLMAPTNCEH1
SCHEMBL12261048 0.60 CES2 (0.68) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL3545870 0.60 ALDH1A1 (0.66) ALDH1A1LMNARECQLMAPTNCEH1
SCHEMBL642847 0.60 ALDH1A1 (0.60) ALDH1A1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL4151206 0.60 ALDH1A1 (0.43) ALDH1A1LMNARECQLRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 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-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ALDH1A1 1370/4885LMNA 2969/4885RECQL 1587/4885

“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.