SCHEMBL15680396

SCHEMBL15680396

CCc1ncnc(O)c1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
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
SCHEMBL13971734 0.90 GABRA1 (0.35) GABRA1GABRB2CCR9
SCHEMBL2324216 0.83 FEN1 (0.30)
SCHEMBL10699821 0.78 NOS3 (0.33)
SCHEMBL1660309 0.78 KDM4E (0.30)
SCHEMBL8718664 0.76 SELE (0.32)
SCHEMBL8176802 0.76 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL503147 0.76
SCHEMBL3166412 0.74
SCHEMBL2231369 0.74 NOS3 (0.37)
SCHEMBL8757036 0.73 MAPT (0.38)

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-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC GABRA1 3647/4885GABRB2 2626/4885CCR9 3621/4885

“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.