SCHEMBL21295055

SCHEMBL21295055

CCn1c(C=O)cc2ccsc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
LMNA P02545 2/20 0.35
CYP2A6 P11509 2/20 0.35
PDE7A Q13946 6/20 0.35
TSHR P16473 4/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
PTGER4 P35408 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE7B Q9NP56 1/20 0.31
USP2 O75604 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
SCHEMBL21295062 0.83 L3MBTL1 (0.33) L3MBTL1LMNACYP2A6PDE7ATSHR
SCHEMBL23159726 0.80 ADORA2B (0.40) L3MBTL1LMNATSHRMAPTSMN1; SMN2
SCHEMBL21295088 0.80 L3MBTL1 (0.33) L3MBTL1LMNACYP2A6TSHRMAPT
SCHEMBL21295057 0.78 TSHR (0.33) L3MBTL1LMNACYP2A6TSHRMAPT
SCHEMBL21295089 0.77 FEN1 (0.36) L3MBTL1LMNACYP2A6TSHRTP53
SCHEMBL26606790 0.74 L3MBTL1 (0.35) L3MBTL1LMNACYP2A6PDE7ATSHR
SCHEMBL21295034 0.73 CYP2A6 (0.33) LMNACYP2A6PDE7AALDH1A1
SCHEMBL2330722 0.72 GPR35 (0.50) L3MBTL1LMNATSHRMAPTSMN1; SMN2
SCHEMBL21307282 0.71 TSHR (0.37) L3MBTL1LMNAPDE7ATSHRMAPT
SCHEMBL21307349 0.70 ALDH1A1 (0.30) MAPTALDH1A1

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
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 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 (1 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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 L3MBTL1 2762/4885LMNA 3737/4885CYP2A6 3724/4885

“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.