SCHEMBL4515288

SCHEMBL4515288

O=[N+]([O-])c1cnc2cccnc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP6 P55212 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.44
BAZ1A Q9NRL2 1/20 0.43

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
SCHEMBL212004 0.77 TXNRD1 (0.58) ALDH1A1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL31040685 0.77 TXNRD1 (0.58) ALDH1A1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL29642602 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL2230388 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ABCHEACHE
Ammonia Solution, Strong SCHEMBL28747081 0.75 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ABCHEACHE
Methane SCHEMBL28038323 0.75 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL1012937 0.75 BAZ1A (0.60) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL30626616 0.75 BAZ1A (0.60) ALDH1A1MEN1KMT2ARAB9ANPC1
Quinoline SCHEMBL28125811 0.75 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL31378665 0.74 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ARAB9ANPC1

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-20090240055-A1 Method for 1H-Imidazo[4,5-C] Pyridines and Analogs Thereof KREPSKI LARRY R 2009-09-24 US disclosed
CN-101312975-A Method for 1h-imidazo[4,5-c]pyridines and analogs thereof COLEY PHARM GROUP INC (US) 2008-11-26 CN disclosed
EP-1937683-A1 METHOD FOR 1H-IMIDAZOÝ4,5-c¨PYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2008-07-02 EP disclosed
WO-2007035935-A1 METHOD FOR 1H-IMIDAZO[4,5-c]PYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-03-29 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 (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-20090240055-A1 Method for 1H-Imidazo[4,5-C] Pyridines and Analogs Thereof CYP4B1, CYP4F8, CYP4X1 ALDH1A1 483/4885MEN1 205/4885KMT2A 2015/4885

“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.