SCHEMBL16756274

SCHEMBL16756274

Cc1nc2ccc(-c3cnc(N4CCNC(=O)C4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
TNF P01375 2/20 0.41
SCN9A Q15858 1/20 0.37
HTR6 P50406 1/20 0.36
PPARD Q03181 2/20 0.35
GAK O14976 1/20 0.35
PPARA Q07869 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
GRIN1 Q05586 6/20 0.34
GRIN2B Q13224 6/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL16756269 0.91 AOC3 (0.39) AOC3TNFSCN9AHTR6PPARD
SCHEMBL16756418 0.88 AOC3 (0.39) AOC3TNFSCN9AHTR6TLR7
SCHEMBL16756529 0.87 SOS1 (0.38) AOC3TNFSCN9AHTR6PPARD
SCHEMBL15551375 0.84 TNF (0.41) TNFPPARDPPARATLR7GRIN1
SCHEMBL18129007 0.84 TNF (0.41) AOC3TNFSCN9AGAKFGFR3
SCHEMBL16756307 0.83 TNF (0.42) TNFPPARDPPARATLR7GRIN1
SCHEMBL16756387 0.82 HTR6 (0.42) HTR6TLR7GRIN1GRIN2BSPHK1
SCHEMBL18150343 0.81 TNF (0.43) AOC3TNFSCN9AGAKFGFR3
SCHEMBL16756246 0.81 GAK (0.36) AOC3TNFPPARDGAKPPARA
SCHEMBL16756586 0.81 TNF (0.45) TNFPPARDPPARATLR7GRIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA AOC3 3874/4885TNF 1/4885SCN9A 729/4885

“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.