SCHEMBL16756394

SCHEMBL16756394

COCCNc1ccc(-c2ccc3nc(COC)n(Cc4ccccc4OC(F)F)c3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.36
SYK P43405 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
DGAT1 O75907 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
RAB9A P51151 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
SCHEMBL16756329 0.85 TSHR (0.43) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756384 0.83 TSHR (0.41) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL22420489 0.81 PPARD (0.38) GRIN1GRIN2BPPARDPPARATLR7
SCHEMBL16756300 0.79 TSHR (0.38) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756288 0.78 TNF (0.42) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756368 0.78 TSHR (0.37) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756370 0.78 TSHR (0.37) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL15560961 0.78 TSHR (0.37) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756299 0.78 TSHR (0.37) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL16756355 0.77 NPSR1 (0.55) TSHRMEN1KMT2AHTTNPSR1

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 TSHR 1696/4885MEN1 3836/4885KMT2A 3732/4885

“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.