SCHEMBL18960800

SCHEMBL18960800

CC(C)(C)OC(=O)NC(=N)c1ccc(Cn2ccn3nccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ PPARA Q07869 8/20 0.36
▸ PPARG P37231 7/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ HDAC1 Q13547 3/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL18960805 0.84 PCSK9 (0.36) PCSK9SCDAGTR2
SCHEMBL18952197 0.83 HDAC1 (0.37) HDAC6HDAC10HDAC1HDAC8
SCHEMBL28658270 0.78 PCSK9 (0.35) PCSK9HDAC6HDAC10SCDCYP17A1
SCHEMBL18960794 0.76 FLT1 (0.42) HDAC6HDAC10PPARGNAMPTHDAC1
SCHEMBL18960796 0.74 HDAC1 (0.40) HDAC6PPARAPPARGPPARDNAMPT
SCHEMBL18939148 0.73 PLAU (0.51) —
SCHEMBL18960799 0.73 DGAT1 (0.42) HDAC6HDAC1OPRD1OPRK1
Hydrochloric Acid SCHEMBL18939008 0.72 DGAT1 (0.41) HDAC6HDAC1OPRD1OPRK1
SCHEMBL5731734 0.72 LOXL2 (0.49) HDAC6PPARAPPARGPPARDNAMPT
SCHEMBL7305490 0.71 NR1H4 (0.45) PPARAPPARGPPARDHDAC1PTGDR2

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 PCSK9 4338/4885HDAC6 370/4885HDAC10 93/4885

“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