SCHEMBL30077971

SCHEMBL30077971

COc1cc(C=O)c(CCc2cccn3ccnc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.33
HTR2A P28223 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
MC4R P32245 1/20 0.30
PTAFR P25105 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL15068353 1.00 ERN1 (0.33) ERN1HTR2ANPSR1ALDH1A1HTR2C
SCHEMBL30078149 0.84 ALDH1A1 (0.34) ERN1ALDH1A1
SCHEMBL15065242 0.84 ALDH1A1 (0.34) ERN1ALDH1A1
SCHEMBL22104956 0.79 HTR2A (0.35) HTR2AALDH1A1HTR2CKCNH2TRIM24
SCHEMBL30078081 0.74 IRAK4 (0.31) ALDH1A1
SCHEMBL15066253 0.74 IRAK4 (0.46)
SCHEMBL30078125 0.74 IRAK4 (0.46)
SCHEMBL15065233 0.74 IRAK4 (0.31) ALDH1A1
SCHEMBL22104915 0.74 L3MBTL1 (0.40) ERN1NPSR1ALDH1A1
SCHEMBL15065636 0.73 TRIM24 (0.41) HTR2ANPSR1HTR2CKCNH2TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ERN1 2775/4885HTR2A 1942/4885NPSR1 4389/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ERN1 2775/4885HTR2A 1942/4885NPSR1 4389/4885

“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.