SCHEMBL562610

SCHEMBL562610

CCCCCc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
TP53 P04637 5/20 0.41
LMNA P02545 3/20 0.41
TGFBR1 P36897 2/20 0.40
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NR1D1 P20393 1/20 0.38
STS P08842 1/20 0.38
BMP1 P13497 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
PRMT5 O14744 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL562970 0.89 SLC2A1 (0.43) SLC2A1TP53LMNATGFBR1GRIN2B
SCHEMBL563638 0.83 BRD4 (0.41) TGFBR1BRD4KDM4E
SCHEMBL563121 0.82 KDM4E (0.38) LMNAALDH1A1HTTKDM4E
SCHEMBL563646 0.81 KDM4E (0.39) ALDH1A1NR1D1BRD4KDM4E
SCHEMBL3339558 0.78 SLC2A1 (0.42) SLC2A1TP53LMNATGFBR1ALDH1A1
SCHEMBL4762924 0.76 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL4762917 0.76 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL3339765 0.76 EGFR (0.46) TP53LMNAALDH1A1HTTKDM4E
SCHEMBL14797911 0.73 GPR119 (0.48) TGFBR1GRIN2BNR1D1STSBRD4
SCHEMBL29269211 0.72 KDM1A (0.37) SLC2A1LMNAALDH1A1

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 SLC2A1 4811/4885TP53 221/4885LMNA 3107/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 SLC2A1 4808/4885TP53 196/4885LMNA 3173/4885

“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.