SCHEMBL562970

SCHEMBL562970

CCCCCc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c(N)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
TGFBR1 P36897 2/20 0.42
TP53 P04637 5/20 0.42
LMNA P02545 3/20 0.42
BACE1 P56817 2/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
PRMT5 O14744 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
STS P08842 1/20 0.38

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
SCHEMBL562610 0.89 SLC2A1 (0.42) SLC2A1TGFBR1TP53LMNABACE1
SCHEMBL563139 0.80 HRH2 (0.40) TP53LMNA
SCHEMBL3339558 0.80 SLC2A1 (0.42) SLC2A1TGFBR1TP53LMNABACE1
SCHEMBL562893 0.80 BRD4 (0.40) BRD4KDM4E
SCHEMBL4766984 0.75 TLR7 (0.40)
SCHEMBL3340349 0.73 NCF1 (0.47) TP53LMNAALDH1A1HTTKDM4E
SCHEMBL563638 0.73 BRD4 (0.41) TGFBR1BRD4KDM4E
SCHEMBL4155287 0.71 ALDH1A1 (0.59) SLC2A1TGFBR1TP53LMNABACE1
SCHEMBL26185515 0.70 KDM4E (0.43) TGFBR1BRD4PRMT5KDM4E
SCHEMBL10172522 0.70 TGFBR1 (0.51) TGFBR1BACE1GRIN2BALDH1A1HTT

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 SLC2A1 4811/4885TGFBR1 2431/4885TP53 221/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 SLC2A1 4808/4885TGFBR1 2300/4885TP53 196/4885

“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.