SCHEMBL16756579

SCHEMBL16756579

Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 1.00
▸ TNF P01375 1/20 1.00
▸ NPC1 O15118 2/20 0.67
▸ MAPT P10636 1/20 0.60
▸ TP53 P04637 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ POLB P06746 1/20 0.52
▸ GALR3 O60755 1/20 0.51
▸ NR2F2 P24468 1/20 0.51

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
SCHEMBL30582653 1.00 TSHR (1.00) TSHRTNFNPC1MAPTTP53
SCHEMBL15552030 0.87 TSHR (0.77) TSHRTNFNPC1MAPTTP53
SCHEMBL29870044 0.86 TSHR (0.76) TSHRTNFNPC1MAPTTP53
SCHEMBL28432040 0.86 TSHR (0.76) TSHRTNFNPC1MAPTTP53
SCHEMBL15541163 0.85 TSHR (0.73) TSHRTNFNPC1MAPTTP53
SCHEMBL15551310 0.84 TSHR (0.72) TSHRTNFNPC1MAPTTP53
SCHEMBL15560565 0.84 TSHR (0.72) TSHRTNFNPC1MAPTTP53
SCHEMBL15553033 0.82 TSHR (0.69) TSHRTNFNPC1MAPTTP53
SCHEMBL15551873 0.82 TSHR (0.69) TSHRTNFNPC1MAPTTP53
SCHEMBL15560601 0.81 TSHR (0.67) TSHRTNFNPC1MAPTTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311168-B1 NOVEL TNF STRUCTURE FOR USE IN THERAPY UCB Biopharma SRL (BE) 2023-05-10 — — EP disclosed
US-20210088530-A1 NOVEL TNFa STRUCTURE FOR USE IN THERAPY UCB Biopharma SRL (BE) 2021-03-25 — — US disclosed
US-10775385-B2 Treatment of autoimmune and inflammatory disorders with asymmetric TNF alpha trimers UCB Biopharma SRL (BE) 2020-09-15 — — US 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 (3 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
US-20210088530-A1 NOVEL TNFa STRUCTURE FOR USE IN THERAPY TNFRSF1A, TNFRSF9, CD40 TSHR 259/4885TNF 5/4885NPC1 4061/4885
US-10775385-B2 Treatment of autoimmune and inflammatory disorders with asymmetric TNF alpha trimers TNFRSF1A, TNFRSF9, CD40 TSHR 218/4885TNF 4/4885NPC1 4080/4885

“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.

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