SCHEMBL24476374

SCHEMBL24476374

COC(=O)CCCCCCCCCCCCCCCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
P2RX7 Q99572 1/20 0.46
YTHDC1 Q96MU7 5/20 0.45
AMPD1 P23109 1/20 0.43
P2RY1 P47900 1/20 0.43
HPRT1 P00492 2/20 0.42
AMPD2 Q01433 1/20 0.42
KAT2B Q92831 2/20 0.42
ADCY5 O95622 1/20 0.41

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
SCHEMBL28654978 1.00 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL17078412 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL19633384 0.83 CDK1 (0.50) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL28664886 0.82 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL28657767 0.81 AMPD1 (0.43) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL28662851 0.81 AMPD1 (0.43) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL8464465 0.79 TK1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL19633358 0.78 CDK1 (0.52) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL5161283 0.78 HDAC1 (0.49) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL944935 0.75 P2RX7 (0.46) HDAC1HDAC2HDAC8HDAC3HDAC4

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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS HDAC1 3393/4885HDAC2 3518/4885HDAC8 2909/4885

“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.