SCHEMBL16817700

SCHEMBL16817700

CCOc1ccccc1[CH]C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ LMNA P02545 4/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ L3MBTL1 Q9Y468 5/20 0.51
▸ GLA P06280 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ AR P10275 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL28300287 0.85 LMNA (0.62) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL20446704 0.85 LMNA (0.62) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL8006539 0.80 MEN1 (0.55) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL4470862 0.79 NFE2L2 (0.59) KDM4ECYP1A2MEN1KMT2ALMNA
1,2-Diethoxybenzene SCHEMBL28400278 0.79 L3MBTL1 (0.66) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL31401930 0.77 ALDH1A1 (0.73) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL535646 0.77 ALDH1A1 (0.73) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL2488791 0.77 ALDH1A1 (0.54) KDM4ECYP1A2CYP2C9MEN1KMT2A
SCHEMBL1536281 0.76 PTGER1 (0.66) KDM4EKMT2ALMNAL3MBTL1GLA
SCHEMBL4739417 0.76 KDM4E (0.57) KDM4ECYP1A2CYP2C9MEN1KMT2A

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
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 — — US disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 — — US disclosed
US-9932354-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2018-04-03 — — US disclosed
EP-2855488-B1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2016-04-13 — — EP disclosed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 — — 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-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 KDM4E 4491/4885CYP1A2 964/4885CYP2C9 2557/4885
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 KDM4E 4491/4885CYP1A2 964/4885CYP2C9 2557/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 KDM4E 4491/4885CYP1A2 964/4885CYP2C9 2557/4885

“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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