SCHEMBL16909751

SCHEMBL16909751

COC(=O)C1CCCN(c2ncc(-c3ccc4nc(C)c(Cc5ccccc5OC(F)F)n4c3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
ALKBH1 Q13686 1/20 0.37
SLC2A1 P11166 2/20 0.36
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
PTPN11 Q06124 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17666760 0.93 TNF (0.40) TNFALKBH1SLC2A1KDM4EEPHX2
Potassium Ion SCHEMBL16909699 0.92 TNF (0.39) TNFALKBH1SLC2A1EPHX2ALDH1A1
SCHEMBL16909640 0.90 ALKBH1 (0.41) TNFALKBH1SLC2A1KDM4EEPHX2
SCHEMBL16909380 0.89 KDM4E (0.38) TNFALKBH1SLC2A1KDM4EEPHX2
SCHEMBL16909435 0.89 TNF (0.42) TNFALKBH1SLC2A1KDM4EALDH1A1
SCHEMBL16909460 0.89 TNF (0.42) TNFALKBH1SLC2A1KDM4EALDH1A1
SCHEMBL16909458 0.89 TNF (0.42) TNFALKBH1SLC2A1KDM4EALDH1A1
SCHEMBL16909461 0.88 ALKBH1 (0.36) TNFALKBH1SLC2A1KDM4EEPHX2
SCHEMBL16909897 0.87 TNF (0.42) TNFALKBH1SLC2A1KDM4EALDH1A1
SCHEMBL16909411 0.87 TNF (0.37) TNFALKBH1KDM4EEPHX2ALDH1A1

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-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 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 (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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A TNF 1/4885ALKBH1 4341/4885SLC2A1 3939/4885

“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.