SCHEMBL19952556

SCHEMBL19952556

N#CCOc1ccc(C=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 2/20 0.41
PADI4 Q9UM07 1/20 0.37
EGFR P00533 2/20 0.35
KCNJ1 P48048 1/20 0.35
GAA P10253 2/20 0.34
FDPS P14324 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31

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
SCHEMBL19952571 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1POLBKCNJ1
SCHEMBL14480163 0.80 PADI4 (0.39) ALDH1A1KDM4EL3MBTL1POLBPADI4
SCHEMBL8567940 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1POLBKCNJ1
SCHEMBL28638782 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1POLBKCNJ1
SCHEMBL2263155 0.76 RAB9A (0.47) ALDH1A1KDM4EL3MBTL1EGFRGAA
SCHEMBL933951 0.76 KDM4E (0.57) ALDH1A1KDM4EL3MBTL1POLBKCNJ1
SCHEMBL19959642 0.74 POLB (0.45) ALDH1A1KDM4EPOLBGAACA12
SCHEMBL29501241 0.73 KDM4E (0.59) ALDH1A1KDM4EL3MBTL1POLBFDPS
SCHEMBL207440 0.73 KDM4E (0.59) ALDH1A1KDM4EL3MBTL1POLBFDPS
SCHEMBL20489821 0.73 KDM4E (0.54) ALDH1A1KDM4EL3MBTL1POLBFDPS

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 ALDH1A1 956/4885KDM4E 117/4885L3MBTL1 1462/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885KDM4E 117/4885L3MBTL1 1462/4885

“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.