SCHEMBL30430299

SCHEMBL30430299

O=C(O)c1cc2cccc3c2n1C=CC=C3

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.43
FDPS P14324 2/20 0.39
DAO P14920 1/20 0.38
CCR2 P41597 8/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
LDHA P00338 2/20 0.31
CCR9 P51686 1/20 0.31

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
SCHEMBL15489482 0.87 MCL1 (0.33) MCL1FDPSALDH1A1
SCHEMBL19615178 0.73 MCL1 (0.37) MCL1FDPSDAOCCR2
SCHEMBL22687067 0.71 MCL1 (0.57) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL30832178 0.70 MCL1 (0.52) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL30832172 0.70 MCL1 (0.40) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL6330126 0.64 MCL1 (0.46) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL28844727 0.64 CCR2 (0.51) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL4501824 0.61
SCHEMBL3229944 0.61 MCL1 (0.57) MCL1FDPSDAOCCR2ALDH1A1
SCHEMBL10233030 0.61 MCL1 (0.57) MCL1FDPSDAOCCR2ALDH1A1

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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2023-08-17 US disclosed
US-11667645-B2 Granzyme B directed imaging and therapy CYTOSITE BIOPHARMA INC. (US) 2023-06-06 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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB MCL1 687/4885FDPS 4583/4885DAO 1674/4885
US-11667645-B2 Granzyme B directed imaging and therapy GZMB, PRF1, CTSB MCL1 687/4885FDPS 4583/4885DAO 1674/4885

“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.