SCHEMBL562158

SCHEMBL562158

CCCCCc1cc(NCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
BRD4 O60885 8/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MGLL Q99685 2/20 0.36
HCAR3 P49019 2/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6098426 0.83 BRD4 (0.47) STK17BSTK17ABRD4PIM1PIM2
SCHEMBL563646 0.81 KDM4E (0.39) BRD4MEN1KMT2AMGLLMAPT
SCHEMBL562959 0.79 CNR1 (0.32) MEN1KMT2ALMNAHCAR3MAPT
SCHEMBL563638 0.76 BRD4 (0.41) BRD4MAPTPKM
SCHEMBL3340185 0.76 MAPT (0.38) LMNAHCAR3POLBMAPTPKM
SCHEMBL563625 0.75 CCNC (0.44) MEN1KMT2ALMNATSHRPOLB
SCHEMBL6097448 0.74 STK17B (0.47) STK17BSTK17ABRD4MEN1KMT2A
SCHEMBL6096515 0.73 TDP1 (0.41) STK17BSTK17ABRD4MEN1KMT2A
SCHEMBL8125697 0.72 BCHE (0.47) STK17BSTK17ABRD4MEN1KMT2A
SCHEMBL1490695 0.72 STK17B (0.44) STK17BSTK17ABRD4MEN1KMT2A

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 4 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
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 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 (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 STK17B 4087/4885STK17A 3692/4885BRD4 193/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 STK17B 4046/4885STK17A 3674/4885BRD4 224/4885

“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.