SCHEMBL16756455

SCHEMBL16756455

Cc1nc2cc(F)c(-c3cnc(N4C[C@H]5CC[C@@H](C4)[C@@H]5C(=O)O)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 9/20 0.43
PPARD Q03181 6/20 0.36
PPARA Q07869 2/20 0.36
TLR7 Q9NYK1 1/20 0.34
WDR5 P61964 2/20 0.34
CHRM4 P08173 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
SCHEMBL16756453 1.00 TNF (0.43) TNFPPARDPPARATLR7WDR5
SCHEMBL16756456 1.00 TNF (0.43) TNFPPARDPPARATLR7WDR5
SCHEMBL16756450 0.91 TNF (0.38) TNF
SCHEMBL16756364 0.91 TNF (0.38) TNF
SCHEMBL16756367 0.84 TNF (0.45) TNFPPARDPPARATLR7
SCHEMBL16756279 0.80 GPR6 (0.39) TNFPPARDPPARA
SCHEMBL16756281 0.80 GPR6 (0.39) TNFPPARDPPARA
SCHEMBL16756282 0.80 GPR6 (0.39) TNFPPARDPPARA
SCHEMBL16756526 0.80 TNF (0.41) TNFTLR7
SCHEMBL16756559 0.80 TNF (0.41) TNFTLR7

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 TNF 1/4885PPARD 537/4885PPARA 1431/4885

“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.