SCHEMBL16756388

SCHEMBL16756388

Cc1nc(C(C)(C)O)ncc1-c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.38
PPARA Q07869 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TNF P01375 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL20258696 0.90 PPARD (0.40) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756248 0.85 PPARD (0.40) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756585 0.85 TLR7 (0.40) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756485 0.83 PPARD (0.43) PPARDPPARATLR7
SCHEMBL16756311 0.82 TNF (0.46) TLR7TNF
SCHEMBL15559117 0.82 PPARD (0.37) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756301 0.82 TLR7 (0.38) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756380 0.81 GALR3 (0.39) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756280 0.80 TLR7 (0.38) PPARDPPARATLR7NPC1GALR3
SCHEMBL16756480 0.80 TLR7 (0.37) PPARDPPARATLR7TNF

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-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 PPARD 537/4885PPARA 1431/4885TLR7 3878/4885

“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.