SCHEMBL7770993

SCHEMBL7770993

CC(C)OC(=O)NCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C9 P11712 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 5/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP1 P53582 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL19508895 0.80 MAOA (0.38) TSHRMAOAMAOBRAB9ALMNA
SCHEMBL5553307 0.80 LMNA (0.48) TSHRALOX15SMN1; SMN2CYP2C9CYP1A2
SCHEMBL606445 0.79
SCHEMBL7771525 0.79 ALOX15 (0.40) TSHRMAOAMAOBALOX15SMN1; SMN2
SCHEMBL13130756 0.78 TSHR (0.37) TSHRALOX15SMN1; SMN2CYP2C9CYP1A2
SCHEMBL7770988 0.78 TSHR (0.37) TSHRALOX15SMN1; SMN2CYP2C9CYP1A2
SCHEMBL7765947 0.77
SCHEMBL18776567 0.77 TSHR (0.43) TSHRALOX15SMN1; SMN2CYP2C9CYP1A2
SCHEMBL8303325 0.75 SMN1; SMN2 (0.49) TSHRMAOAMAOBALOX15SMN1; SMN2
SCHEMBL606444 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 TSHR 4224/4885MAOA 947/4885MAOB 854/4885

“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.