SCHEMBL20051922

SCHEMBL20051922

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nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2D6 P10635 1/20 0.42
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSK P43235 2/20 0.36
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
MLYCD O95822 7/20 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
SCHEMBL17768286 0.81 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17768288 0.81 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12914591 0.80 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7347959 0.80 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12450808 0.80 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7713974 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13453163 0.79 HDAC2 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19871363 0.79 HDAC2 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19871362 0.78 CYP2D6 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9953255 0.78 CYP2D6 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6

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-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 US disclosed
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 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-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 HDAC3 953/4885HDAC1 437/4885HDAC2 1084/4885

“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.