SCHEMBL17068923

SCHEMBL17068923

CC(=O)CNCCN1C(=O)NC(C)(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ PADI4 Q9UM07 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL17070960 0.86 KMT2A (0.49) KMT2APOLBALDH1A1PADI4FPR2
SCHEMBL21898615 0.84 KMT2A (0.46) KMT2APOLBALDH1A1PADI4FPR2
SCHEMBL16256882 0.78 KMT2A (0.58) KMT2APOLBALDH1A1PADI4FPR2
SCHEMBL11677768 0.75 POLB (0.74) KMT2APOLBALDH1A1PADI4MEN1
SCHEMBL14499599 0.74 KMT2A (0.72) KMT2APOLBALDH1A1FPR2MEN1
SCHEMBL8165986 0.71 KMT2A (0.68) KMT2APOLBALDH1A1PADI4MEN1
SCHEMBL6113379 0.71 KMT2A (0.53) KMT2APOLBALDH1A1PADI4FPR2
Methane SCHEMBL11598388 0.71 POLB (0.61) KMT2APOLBALDH1A1PADI4MEN1
SCHEMBL9787811 0.70 POLB (0.65) KMT2APOLBALDH1A1PADI4LMNA
SCHEMBL13753309 0.70 POLB (0.65) KMT2APOLBALDH1A1PADI4MEN1

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-9908853-B2 Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof THE HOSPITAL FOR SICK CHILDREN (CA) 2018-03-06 — — US disclosed
US-20150252006-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF THE HOSPITAL FOR SICK CHILDREN (CA) 2015-09-10 — — 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-20150252006-A1 INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF PADI2, PADI1, PADI4 KMT2A 2452/4885POLB 3310/4885ALDH1A1 685/4885

“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.

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