SCHEMBL23977295

SCHEMBL23977295

C#Cc1ccc(Cn2cnc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PDE10A Q9Y233 4/20 0.46
KIT P10721 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
MAP4K4 O95819 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPK8 P45983 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
PIK3CD O00329 1/20 0.40
GPR119 Q8TDV5 2/20 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
SCHEMBL23977314 0.89 CNR1 (0.44) HRH4CNR1CNR2PDE10AKIT
SCHEMBL30225418 0.89 CNR1 (0.44) HRH4CNR1CNR2PDE10AKIT
SCHEMBL17274907 0.87 HRH4 (0.51) HRH4CNR1CNR2PDE10AKIT
SCHEMBL23977352 0.81 HRH4 (0.73) HRH4PDE10AALDH1A1POLBHPGD
SCHEMBL30225539 0.81 HRH4 (0.73) HRH4PDE10AALDH1A1POLBHPGD
SCHEMBL23977344 0.81 CNR1 (0.44) CNR1CNR2KITALDH1A1MAP4K4
SCHEMBL28977404 0.81 CNR1 (0.44) CNR1CNR2KITALDH1A1MAP4K4
SCHEMBL3880941 0.79 CNR1 (0.46) HRH4CNR1CNR2KITMAP4K4
SCHEMBL30291239 0.77 HTR2C (0.57) HRH4PDE10AALDH1A1POLBHPGD
SCHEMBL23977303 0.77 HTR2C (0.57) HRH4PDE10AALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
EP-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed
CN-115720579-A Antibacterial and antifungal pleuromutilin conjugates 赛丹思科大学 2023-02-28 CN disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 WO 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 HRH4 2797/4885CNR1 4872/4885CNR2 4873/4885

“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.