SCHEMBL19952767

SCHEMBL19952767

O=C(/C=C/c1ccccn1)c1c(-c2ccccc2)c2c([nH]c1=O)CCC2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 18/20 0.64
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 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
SCHEMBL29611941 1.00 PADI4 (0.64) PADI4MEN1LMNAMAPTHTT
SCHEMBL19952801 0.78 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL29612171 0.78 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19952820 0.75 PARP1 (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL23467955 0.73 PADI4 (1.00) PADI4
SCHEMBL19863741 0.73 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23497993 0.73 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL30044239 0.73 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23468130 0.70 PADI4 (0.84) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL12218615 0.70 LMNA (0.61) PADI4MEN1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
EP-3510025-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 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 (2 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885MEN1 4025/4885LMNA 3266/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885MEN1 4025/4885LMNA 3266/4885

“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.