SCHEMBL563625

SCHEMBL563625

CCCCCc1cc(NCCc2ccccc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 6/20 0.42
WNK1 Q9H4A3 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL562979 0.90 PLK1 (0.44) POLBLMNAMAPTALDH1A1GAA
SCHEMBL562914 0.81 CDK5 (0.48) POLBLMNATP53MAPTALDH1A1
SCHEMBL3340185 0.80 MAPT (0.38) POLBLMNAMAPTWNK1PKM
SCHEMBL563066 0.80 CRHBP (0.44) POLBTP53MAPTALDH1A1GAA
SCHEMBL562959 0.78 CNR1 (0.32) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL563626 0.75 CYP19A1 (0.35) LMNAMAPTALDH1A1GAAHTT
SCHEMBL562158 0.75 STK17B (0.45) POLBLMNAMAPTALDH1A1HPGD
SCHEMBL562804 0.74 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL7480289 0.74 NR4A2 (0.45) POLBMAPTALDH1A1HTTPKM
SCHEMBL563557 0.74 PTGER4 (0.39)

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-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
CN-101253173-A Hydroxy substituted 1H-imidazopyridines and methods PFIZER (US) 2008-08-27 CN 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 CCNC 759/4885CDK8 738/4885POLB 1931/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 CCNC 766/4885CDK8 778/4885POLB 1941/4885

“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.