SCHEMBL16756278

SCHEMBL16756278

Cc1ccc(C)c(Cn2c(CO)nc3ccc(C(=O)NC4Cc5ccccc5C4)cc32)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ TNF P01375 1/20 0.58
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 2/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ACSS2 Q9NR19 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL15560601 0.82 TSHR (0.67) TSHRTNFNPC1TP53MAPK1
SCHEMBL16756333 0.79 TSHR (0.64) TSHRTNFNPC1TP53MAPK1
SCHEMBL30582653 0.75 TSHR (1.00) TSHRTNFNPC1TP53MAPK1
SCHEMBL16756579 0.75 TSHR (1.00) TSHRTNFNPC1TP53MAPK1
SCHEMBL16756578 0.75 TNF (0.62) TSHRTNFNPC1TP53MAPK1
SCHEMBL15560565 0.72 TSHR (0.72) TSHRTNFNPC1TP53MAPK1
SCHEMBL28860552 0.66 AGTR1 (0.50) TSHRTNFTP53MAPTACSS2
SCHEMBL22420480 0.65 TNF (0.59) TSHRTNFNPC1TP53MAPK1
SCHEMBL15552030 0.65 TSHR (0.77) TSHRTNFNPC1TP53MAPK1
SCHEMBL2079176 0.64 FGFR1 (0.46) NPC1TP53MAPTALDH1A1

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 1696/4885TNF 1/4885NPC1 3216/4885

“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.

Send feedback