SCHEMBL21295036

SCHEMBL21295036

Cc1cc2cc(C=O)n(CC3CC3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
CNR2 P34972 5/20 0.31
TPH1 P17752 2/20 0.31
TPH2 Q8IWU9 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
SMN1; SMN2 Q16637 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
SCHEMBL23159614 0.83 DRD2 (0.32) NOTUMCNR2MEN1ALDH1A1CYP3A4
SCHEMBL23159730 0.83 MEN1 (0.31) NOTUMMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL23159540 0.81 CNR2 (0.33) NOTUMCNR2
SCHEMBL21295034 0.80 CYP2A6 (0.33) ALDH1A1
SCHEMBL21307466 0.80 NOTUM (0.43) NOTUMCNR2TPH1TPH2MEN1
SCHEMBL28833727 0.76 NOTUM (0.47) NOTUMCNR2TPH1TPH2
SCHEMBL21295041 0.75 NOTUM (0.36) NOTUMCNR2
SCHEMBL21295057 0.75 TSHR (0.33) NOTUMCNR2MEN1ALDH1A1CYP3A4
SCHEMBL21295092 0.72 ALDH1A1 (0.43) NOTUMCNR2MEN1ALDH1A1CYP3A4
SCHEMBL30065359 0.72 CNR2 (0.34) NOTUMCNR2

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 NOTUM 1134/4885CNR2 3805/4885TPH1 3334/4885

“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.