SCHEMBL19952910

SCHEMBL19952910

CC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 3/20 0.70
PADI4 Q9UM07 1/20 0.59
KDM4E B2RXH2 7/20 0.56
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NLRP3 Q96P20 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DAO P14920 1/20 0.43
DDO Q99489 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL29611901 1.00 KMT2A (0.70) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL6627007 0.88 MEN1 (0.68) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL10572503 0.76 KDM4E (0.57) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL29612327 0.75 PADI4 (1.00) KMT2AALDH1A1MEN1PADI4
SCHEMBL19953012 0.75 PADI4 (1.00) KMT2AALDH1A1MEN1PADI4
SCHEMBL13450067 0.74 ALDH1A1 (0.55) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL18426760 0.74 PDE9A (0.54) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL29612172 0.73 KDM4E (0.69) KMT2AALDH1A1MEN1PADI4KDM4E
SCHEMBL2284247 0.73 KDM4E (0.69) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL19952775 0.73 KDM4E (0.69) KMT2AALDH1A1MEN1PADI4KDM4E

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 KMT2A 282/4885ALDH1A1 956/4885MEN1 4025/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 KMT2A 282/4885ALDH1A1 956/4885MEN1 4025/4885

“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.