SCHEMBL21295080

SCHEMBL21295080

CCn1c(C=O)nc2ccsc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 16/20 0.40
PDE4B Q07343 10/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE7B Q9NP56 1/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VDR P11473 1/20 0.34

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
SCHEMBL3616241 0.70 KDM4E (0.65) L3MBTL1KDM4EMAPK1NPC1ALDH1A1
SCHEMBL21295055 0.69 L3MBTL1 (0.35) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL12210156 0.66 MEN1 (0.44) KDM4ENPC1ALDH1A1GLAGAA
SCHEMBL10642457 0.66 RPS6KA5 (0.49) L3MBTL1KDM4EMAPK1NPC1ALDH1A1
SCHEMBL4882602 0.65 DRD2 (0.43)
SCHEMBL7473048 0.65 KDM4E (0.50) KDM4ENPC1ALDH1A1GLAGAA
SCHEMBL23937771 0.63 HTR2A (0.37) ALDH1A1HPGD
SCHEMBL9866483 0.61 ALDH1A1 (0.67) L3MBTL1KDM4ENPC1ALDH1A1GLA
SCHEMBL5897628 0.60 KDM4E (0.32) KDM4EMAPK1ALDH1A1
SCHEMBL5896944 0.60 KDM4E (0.32) KDM4EMAPK1ALDH1A1GLAGAA

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 4 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
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

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 PDE7A 18/4885PDE4B 7/4885L3MBTL1 2762/4885

“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.