SCHEMBL562247

SCHEMBL562247

CCOCCc1cc(NCCCCS(C)(=O)=O)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MITF O75030 1/20 0.34
XBP1 P17861 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 4/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.32
WNK1 Q9H4A3 1/20 0.32
AGTR1 P30556 2/20 0.31
GAA P10253 1/20 0.31
NTSR1 P30989 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
SCHEMBL3340185 0.87 MAPT (0.38) MAPTLMNASMN1; SMN2POLBPKM
SCHEMBL3338230 0.80 SMN1; SMN2 (0.40) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL563655 0.74 ALDH1A1 (0.39) MAPTKMT2AALDH1A1MEN1NPSR1
SCHEMBL7480289 0.69 NR4A2 (0.45) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL3338086 0.69 PTGS2 (0.38) HPGD
SCHEMBL7480441 0.68 NR4A2 (0.44) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL563625 0.67 CCNC (0.44) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL562158 0.66 STK17B (0.45) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2549528 0.64 LMNA (0.52) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL562959 0.64 CNR1 (0.32) MAPTKMT2AALDH1A1MEN1LMNA

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 MAPT 4506/4885KMT2A 3563/4885ALDH1A1 598/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 MAPT 4506/4885KMT2A 3668/4885ALDH1A1 623/4885

“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.