SCHEMBL18960796

SCHEMBL18960796

CC(C)(C)OC(=O)NC(=N)c1ccc(CN2CCn3nccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ F2 P00734 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ PPARD Q03181 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18952166 0.84 HDAC1 (0.38) HDAC1HDAC6HDAC8HDAC3NCOR2
SCHEMBL28927897 0.78 HDAC1 (0.35) HDAC1HDAC6SIRT2SIRT1SCD
SCHEMBL18977619 0.75 HDAC1 (0.40) HDAC1HDAC6SIRT2SIRT1PPARG
SCHEMBL18960800 0.74 PCSK9 (0.38) HDAC1HDAC6SCDPPARGPPARA
SCHEMBL18939001 0.74 F10 (0.41) HDAC1HDAC6F2
Iodide SCHEMBL28647597 0.72 HRH2 (0.33) HDAC8HDAC3NCOR2
SCHEMBL2524679 0.72 DRD2 (0.47) —
SCHEMBL5731734 0.71 LOXL2 (0.49) HDAC6PPARGPPARAHDAC3NCOR2
Hydrochloric Acid SCHEMBL5846568 0.70 LOXL2 (0.47) HDAC6PPARGPPARAHDAC3NCOR2
SCHEMBL20713777 0.70 CYP4A11 (0.47) PPARGPPARAPPARD

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-RE48097-E1 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS ULC (CA) 2020-07-14 — — US disclosed
US-9751894-B2 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-09-05 — — US disclosed
US-9751894-B2 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-09-05 — — US disclosed
US-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS ULC (CA) 2017-06-15 — — US disclosed
US-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS ULC (CA) 2017-06-15 — — 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-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE CEP170, AADAC, NAA50 HDAC1 1318/4885HDAC6 370/4885SIRT2 209/4885

“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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