SCHEMBL16756368

SCHEMBL16756368

COCc1nc2ccc(-c3ccc(N4CCS(=O)(=O)CC4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
GAK O14976 1/20 0.33
MAPK8 P45983 1/20 0.33
GAA P10253 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
SCHEMBL16756370 0.92 TSHR (0.37) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756300 0.89 TSHR (0.38) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL15560961 0.88 TSHR (0.37) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756443 0.86 TSHR (0.35) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756246 0.85 GAK (0.36) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756329 0.82 TSHR (0.43) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756288 0.81 TNF (0.42) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756384 0.80 TSHR (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756299 0.78 TSHR (0.37) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL16756394 0.78 TSHR (0.39) TSHRHTTMEN1KMT2AALDH1A1

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 1696/4885HTT 1177/4885MEN1 3836/4885

“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.