SCHEMBL29601253

SCHEMBL29601253

CCCCCCCCCCCC(=O)n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
HDAC2 Q92769 9/20 0.44
P2RX7 Q99572 2/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SQOR Q9Y6N5 1/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
GSK3B P49841 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL29601208 0.99 HDAC1 (0.43) HDAC1HDAC2P2RX7LMNATP53
SCHEMBL29601213 0.87 HDAC1 (0.42) HDAC1HDAC2SQORHDAC8HDAC3
SCHEMBL29601164 0.86 HDAC1 (0.35) HDAC1HDAC2P2RX7TP53ALDH1A1
SCHEMBL29601330 0.81 SQOR (0.35) HDAC1HDAC2P2RX7TDP1SQOR
SCHEMBL28669352 0.79 P2RX7 (0.37) HDAC1HDAC2P2RX7LMNATP53
SCHEMBL5161068 0.74 HDAC1 (0.51) HDAC1HDAC2P2RX7ALDH1A1TDP1
SCHEMBL5347874 0.74 PNP (0.50) SQOR
SCHEMBL24476294 0.73 P2RX7 (0.41) HDAC1HDAC2P2RX7LMNATP53
SCHEMBL9537822 0.73 KMT2A (0.44) SQORGSK3B
SCHEMBL24476401 0.73 P2RX7 (0.41) HDAC1HDAC2P2RX7LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC HDAC1 4709/4885HDAC2 4820/4885P2RX7 1162/4885

“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.