SCHEMBL19952820

SCHEMBL19952820

CC(=O)c1c(-c2ccccc2)c2c([nH]c1=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
XBP1 P17861 1/20 0.43
PDE9A O76083 1/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
BRD4 O60885 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
PKM P14618 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL18060137 0.82 LMNA (0.60) KDM4ESMN1; SMN2MEN1MAPTKMT2A
SCHEMBL18060093 0.79 LMNA (0.62) KDM4ESMN1; SMN2MEN1MAPTKMT2A
SCHEMBL29611941 0.75 PADI4 (0.64) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL19952767 0.75 PADI4 (0.64) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL19953000 0.73 PDE9A (0.71) KDM4ESMN1; SMN2MEN1MAPTKMT2A
SCHEMBL20568603 0.72 KDM4E (0.49) PARP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15572868 0.71 KMT2A (0.47) PARP1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL29612100 0.71 KDM4E (0.68) KDM4EMAPTALDH1A1
SCHEMBL19952955 0.71 KDM4E (0.68) KDM4EMAPTALDH1A1
SCHEMBL17351484 0.70 PDE9A (0.76) PARP1KDM4EMEN1MAPTKMT2A

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 9 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
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN 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 PARP1 226/4885KDM4E 117/4885SMN1; SMN2 3573/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PARP1 226/4885KDM4E 117/4885SMN1; SMN2 3573/4885

“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.