SCHEMBL18546554

SCHEMBL18546554

O=C(N[C@@H](CCO)C(=O)Nc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.64
SIRT1 Q96EB6 8/20 0.64
SIRT5 Q9NXA8 2/20 0.64
SIRT3 Q9NTG7 3/20 0.61
HDAC8 Q9BY41 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
NCOR2 Q9Y618 1/20 0.60
KDM1A O60341 3/20 0.56
MAOA P21397 2/20 0.56
KDM1B Q8NB78 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56

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
SCHEMBL13768439 0.89 HDAC8 (0.63) SIRT2SIRT1SIRT5SIRT3HDAC8
SCHEMBL7513034 0.89 CTSL (0.53) SIRT2SIRT1SIRT5SIRT3HDAC8
SCHEMBL22034415 0.88 SIRT5 (0.69) SIRT2SIRT1SIRT5SIRT3HDAC8
SCHEMBL22034417 0.88 SIRT5 (0.69) SIRT2SIRT1SIRT5SIRT3HDAC8
SCHEMBL7370634 0.86 HDAC8 (0.73) HDAC8KDM1AMAOAKDM1BRCOR1
SCHEMBL13768273 0.85 SIRT5 (0.62) SIRT2SIRT1SIRT5HDAC8HDAC3
SCHEMBL17742350 0.85 SIRT2 (0.69) SIRT2SIRT1SIRT5SIRT3HDAC8
SCHEMBL1111208 0.85 PPARA (0.55) SIRT2SIRT1
SCHEMBL6059278 0.85 CTSK (0.54)
SCHEMBL7215503 0.85 CTSK (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198029-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF University Health Network (CA) 2023-06-21 EP disclosed
US-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2020-07-21 US disclosed
WO-2017027967-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2017-02-23 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-10716791-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof PADI2, PADI1, PADI4 SIRT2 1419/4885SIRT1 748/4885SIRT5 1227/4885

“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.