SCHEMBL19952980

SCHEMBL19952980

O=Cc1ccc(=O)n(CCN2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
PADI4 Q9UM07 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 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
SCHEMBL19959641 0.78 POLB (0.47) ALDH1A1HPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL24556712 0.76 USP2 (0.31) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL6222223 0.74 SIGMAR1 (0.55) ALDH3A1ALDH1A3ALDH1A1L3MBTL1KMT2A
SCHEMBL4250096 0.74 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL23468026 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4237481 0.72 MAPK1 (0.45) ALDH3A1ALDH1A3ALDH1A1HPGDSMN1; SMN2
SCHEMBL22293821 0.71 ACVRL1 (0.39) ALDH1A3ALDH1A1L3MBTL1POLB
SCHEMBL15885270 0.71 TSHR (0.49) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL4061161 0.71 LMNA (0.49) ALDH3A1ALDH1A3SMN1; SMN2L3MBTL1KMT2A
SCHEMBL210577 0.71 LTA4H (0.63) ALDH1A1HPGDSMN1; SMN2KDM4ESIGMAR1

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 8 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
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 ALDH3A1 505/4885ALDH1A3 1056/4885PADI4 1/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH3A1 505/4885ALDH1A3 1056/4885PADI4 1/4885

“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.