SCHEMBL19952676

SCHEMBL19952676

C#CCOCCOCCOc1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
PTGS2 P35354 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.38
GSTP1 P09211 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL31286481 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL16585081 0.90 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL8371513 0.86 ALDH1A1 (0.59) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL825205 0.83 MAOA (0.54) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL30737401 0.82 MAOB (0.49) ALDH1A1MAPTHPGDSMN1; SMN2MAOA
SCHEMBL11497705 0.81 CA12 (0.50) PTGS2MAOAMAOBKDM4EAPP
SCHEMBL851166 0.80 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL31286466 0.80 APP (0.49) MAOAMAOBAPPRAB9A
SCHEMBL11912907 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL10298225 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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 7 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-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 956/4885MAPT 3883/4885HPGD 2661/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 ALDH1A1 956/4885MAPT 3883/4885HPGD 2661/4885

“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.