SCHEMBL19952571

SCHEMBL19952571

C#CCOc1ccc(C=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 3/20 0.41
PTGS2 P35354 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNJ1 P48048 1/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA2 P00918 2/20 0.34
GSTP1 P09211 1/20 0.34
FDPS P14324 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL19952556 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL28628173 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL825205 0.76 MAOA (0.54) ALDH1A1L3MBTL1KDM4EPTGS2MAOA
SCHEMBL28638782 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EPOLBHSD17B10
SCHEMBL8567940 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL933951 0.76 KDM4E (0.57) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL6827666 0.74 HPGD (0.43) ALDH1A1KDM4EPOLBMAOAMAOB
SCHEMBL158923 0.74 KDM4E (0.43) ALDH1A1KDM4EPOLBMAOAMAOB
SCHEMBL29501241 0.73 KDM4E (0.59) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL207440 0.73 KDM4E (0.59) ALDH1A1L3MBTL1KDM4EPOLBLMNA

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 6 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
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-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 956/4885L3MBTL1 1462/4885KDM4E 117/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885L3MBTL1 1462/4885KDM4E 117/4885

“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.