SCHEMBL16894538

SCHEMBL16894538

CCCOc1ccc2c(c1)cc(CO)n2C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.54
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ FGFR1 P11362 1/20 0.43
▸ MAOB P27338 3/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ PLA2G4A P47712 1/20 0.39

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
SCHEMBL18067927 0.88 FGFR1 (0.45) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL7971117 0.81 MAOA (0.58) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL11688264 0.77 KMT2A (0.54) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL15669790 0.77 MAOA (0.46) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL16894421 0.75 MAOA (0.44) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL16894501 0.74 MAOA (0.59) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL28962389 0.73 MAOA (0.41) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL30040785 0.73 MAOA (0.41) MAOAMEN1KMT2AKDM4ETDP1
SCHEMBL22325684 0.73 CA12 (0.59) MEN1KMT2AKDM4ETDP1
SCHEMBL12170332 0.71 SRD5A2 (0.68) MAOAMEN1KMT2AKDM4ETDP1

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-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 — — EP disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 — — US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 — — US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 — — US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 — — 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 (2 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL MAOA 682/4885MEN1 3377/4885KMT2A 3554/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C MAOA 517/4885MEN1 3495/4885KMT2A 3508/4885

“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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