SCHEMBL30980804

SCHEMBL30980804

COc1ncccc1CNCCO

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
CD274 Q9NZQ7 12/20 0.54
PDCD1LG2 Q9BQ51 11/20 0.54
ALDH1A1 P00352 1/20 0.50
PDCD1 Q15116 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM1A O60341 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL29884047 0.91 HTR2A (0.55) HTR2AHTR2CCD274PDCD1LG2PDCD1
SCHEMBL10863438 0.84 HTR2A (0.57) HTR2AHTR2CCD274PDCD1KDM1A
SCHEMBL10483983 0.82 HTR2A (0.55) HTR2AHTR2CCD274PDCD1KDM1A
SCHEMBL28223887 0.79 ALDH1A1 (0.50) CD274PDCD1LG2ALDH1A1PDCD1KDM4E
SCHEMBL6047280 0.78 KDM1A (0.54) HTR2AHTR2CCD274PDCD1KDM1A
SCHEMBL5780541 0.78 SLC13A5 (0.54) HTR2AHTR2CALDH1A1L3MBTL1KDM1A
SCHEMBL18440 0.78 MEN1 (0.60) HTR2AHTR2CALDH1A1KDM4EL3MBTL1
SCHEMBL31365171 0.78 MEN1 (0.60) HTR2AHTR2CALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5900888 0.76 MEN1 (0.58) HTR2AHTR2CALDH1A1KDM4EL3MBTL1
SCHEMBL23017040 0.76 ALDH1A1 (0.46) HTR2AHTR2CCD274PDCD1LG2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 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-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS HTR2A 2366/4885HTR2C 1385/4885CD274 48/4885

“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.