SCHEMBL21295057

SCHEMBL21295057

O=Cc1cc2ccsc2n1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FEN1 P39748 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
NOTUM Q6P988 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.30
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL21295089 0.96 FEN1 (0.36) TSHRCYP2A6FEN1LMNACNR2
SCHEMBL21295055 0.78 L3MBTL1 (0.35) TSHRCYP2A6SMN1; SMN2MEN1ALDH1A1
SCHEMBL21307302 0.77 NOTUM (0.42) TSHRHTR1AHTR2CSMN1; SMN2ALDH1A1
SCHEMBL23159730 0.75 MEN1 (0.31) SMN1; SMN2MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL28538325 0.75 NOTUM (0.41) TSHRFEN1SMN1; SMN2MEN1ALDH1A1
SCHEMBL23159614 0.75 DRD2 (0.32) SMN1; SMN2MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL21295036 0.75 NOTUM (0.35) SMN1; SMN2MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL21295037 0.75 TSHR (0.33) TSHRHTR1AHTR2CGRIN1GRIN2B
SCHEMBL21295062 0.75 L3MBTL1 (0.33) TSHRCYP2A6SMN1; SMN2MEN1ALDH1A1
SCHEMBL21295088 0.75 L3MBTL1 (0.33) TSHRCYP2A6SMN1; SMN2LMNAL3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 CN disclosed
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
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
CN-112574230-A Peptidyl arginine deiminase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-03-30 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 TSHR 1154/4885HTR1A 4460/4885HTR2C 4663/4885

“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.