SCHEMBL16756307

SCHEMBL16756307

Cc1nc2ccc(-c3cnc(N4CCN(S(C)(=O)=O)CC4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.42
PIK3CA P42336 8/20 0.41
PIK3CD O00329 7/20 0.41
PIK3R1 P27986 7/20 0.41
PIK3CB P42338 3/20 0.41
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
MTOR P42345 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL16756411 0.88 PIK3CA (0.39) PIK3CAPIK3CDPIK3R1PIK3CBMTOR
SCHEMBL15551375 0.86 TNF (0.41) TNFPPARDPPARATLR7NPC1
SCHEMBL16756391 0.85 KDR (0.36) PIK3CAPIK3CDPIK3R1PIK3CBPPARD
SCHEMBL18129114 0.85 TNF (0.43) TNFPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL16756586 0.84 TNF (0.45) TNFPIK3CAPPARDPPARAMTOR
SCHEMBL16756274 0.83 AOC3 (0.43) TNFPPARDPPARATLR7GRIN1
SCHEMBL16756344 0.82 TNF (0.44) TNFPIK3CAPPARDPPARAMTOR
SCHEMBL15560797 0.81 GRIN1 (0.41) PPARDPPARATLR7NPC1RAB9A
SCHEMBL16756254 0.81 MAT2A (0.37) TNFPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL16756302 0.79 PPARD (0.40) TNFPPARDPPARATLR7KDM4E

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 1/4885PIK3CA 2350/4885PIK3CD 1361/4885

“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.